[2-hydroxy-3-[5-methyl-6-[(3-methyl-1,2-oxazol-4-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]carbamic acid

C19H25N3O5 — CID 166672315

IUPAC[2-hydroxy-3-[5-methyl-6-[(3-methyl-1,2-oxazol-4-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]carbamic acid
SMILESCc1nocc1COc1ccc2c(c1C)CCN(CC(O)CNC(=O)O)C2
InChIInChI=1S/C19H25N3O5/c1-12-17-5-6-22(9-16(23)7-20-19(24)25)8-14(17)3-4-18(12)26-10-15-11-27-21-13(15)2/h3-4,11,16,20,23H,5-10H2,1-2H3,(H,24,25)
InChIKeySPKVWZXDRDVRGE-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.86
Rot. Bonds7

About [2-hydroxy-3-[5-methyl-6-[(3-methyl-1,2-oxazol-4-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]carbamic acid

[2-hydroxy-3-[5-methyl-6-[(3-methyl-1,2-oxazol-4-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]carbamic acid (PubChem CID 166672315) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is [2-hydroxy-3-[5-methyl-6-[(3-methyl-1,2-oxazol-4-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]carbamic acid.

Molecular Properties

Compound Name[2-hydroxy-3-[5-methyl-6-[(3-methyl-1,2-oxazol-4-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]carbamic acid
PubChem CID166672315
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name[2-hydroxy-3-[5-methyl-6-[(3-methyl-1,2-oxazol-4-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]carbamic acid
SMILESCc1nocc1COc1ccc2c(c1C)CCN(CC(O)CNC(=O)O)C2
InChIInChI=1S/C19H25N3O5/c1-12-17-5-6-22(9-16(23)7-20-19(24)25)8-14(17)3-4-18(12)26-10-15-11-27-21-13(15)2/h3-4,11,16,20,23H,5-10H2,1-2H3,(H,24,25)
InChIKeySPKVWZXDRDVRGE-UHFFFAOYSA-N
XLogP1.86
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(2R)-2-hydroxy-4-[5-methyl-6-[(3-methyl-1,2-oxazol-4-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]butyl]carbamate
CID 167367601
(2R)-1-amino-4-[5-methyl-6-[(3-methyl-1,2-oxazol-4-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]butan-2-ol
CID 167367627
tert-butyl N-[(2S)-2-hydroxy-3-[5-methyl-6-(1,3-oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]carbamate
CID 162458509
N-[(2S)-2-hydroxy-3-[5-methyl-6-(1,3-oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyrimidine-2-carboxamide
CID 175858693
N-[2-hydroxy-3-[5-methyl-6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-(methylamino)pyridine-4-carboxamide
CID 162458527
N-[(2S)-2-hydroxy-3-[5-methyl-6-(1,3-oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-(methylamino)pyridine-4-carboxamide
CID 166683663
N-[2-hydroxy-3-[5-methyl-6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-3-(oxetan-3-ylamino)benzamide
CID 166672304
2-(cyclopentylmethyl)-N-[(2S)-2-hydroxy-3-[5-methyl-6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide
CID 159845835
6-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-2-hydroxy-3-[5-methyl-6-[(5-methyl-1H-pyrazol-4-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyrimidine-4-carboxamide
CID 166683557
6-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-[5-methyl-6-(1,3-oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyrimidine-4-carboxamide;sulfane
CID 158955583
4-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-[5-methyl-6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-2-carboxamide
CID 162458156
N-[2-hydroxy-3-[5-methyl-6-(1,3-oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]pyridine-4-carboxamide
CID 162458088

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[5-methyl-6-[(3-methyl-1,2-oxazol-4-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]carbamic acid?
The IUPAC name of [2-hydroxy-3-[5-methyl-6-[(3-methyl-1,2-oxazol-4-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]carbamic acid (CID 166672315) is [2-hydroxy-3-[5-methyl-6-[(3-methyl-1,2-oxazol-4-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]carbamic acid.
What is the SMILES notation for [2-hydroxy-3-[5-methyl-6-[(3-methyl-1,2-oxazol-4-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]carbamic acid?
The canonical SMILES for [2-hydroxy-3-[5-methyl-6-[(3-methyl-1,2-oxazol-4-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]carbamic acid is Cc1nocc1COc1ccc2c(c1C)CCN(CC(O)CNC(=O)O)C2.
What is the InChIKey of [2-hydroxy-3-[5-methyl-6-[(3-methyl-1,2-oxazol-4-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]carbamic acid?
The InChIKey is SPKVWZXDRDVRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-12-17-5-6-22(9-16(23)7-20-19(24)25)8-14(17)3-4-18(12)26-10-15-11-27-21-13(15)2/h3-4,11,16,20,23H,5-10H2,1-2H3,(H,24,25).
What are the key properties of [2-hydroxy-3-[5-methyl-6-[(3-methyl-1,2-oxazol-4-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]carbamic acid?
[2-hydroxy-3-[5-methyl-6-[(3-methyl-1,2-oxazol-4-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]carbamic acid has a molecular weight of 375.43 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[5-methyl-6-[(3-methyl-1,2-oxazol-4-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]carbamic acid is sourced from PubChem (CID 166672315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).