N-[(5-methoxy-1H-indol-2-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H21N3O3 — CID 131952288

IUPACN-[(5-methoxy-1H-indol-2-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc2[nH]c(CNC(=O)C3CC(C(C)C)=NO3)cc2c1
InChIInChI=1S/C17H21N3O3/c1-10(2)15-8-16(23-20-15)17(21)18-9-12-6-11-7-13(22-3)4-5-14(11)19-12/h4-7,10,16,19H,8-9H2,1-3H3,(H,18,21)
InChIKeyCOSMZTUVKWPQOT-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.59
Rot. Bonds5

About N-[(5-methoxy-1H-indol-2-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[(5-methoxy-1H-indol-2-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 131952288) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(5-methoxy-1H-indol-2-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-methoxy-1H-indol-2-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID131952288
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[(5-methoxy-1H-indol-2-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc2[nH]c(CNC(=O)C3CC(C(C)C)=NO3)cc2c1
InChIInChI=1S/C17H21N3O3/c1-10(2)15-8-16(23-20-15)17(21)18-9-12-6-11-7-13(22-3)4-5-14(11)19-12/h4-7,10,16,19H,8-9H2,1-3H3,(H,18,21)
InChIKeyCOSMZTUVKWPQOT-UHFFFAOYSA-N
XLogP2.59
TPSA75.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(5-methoxy-1H-indol-2-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[(5-methoxy-1H-indol-2-yl)methyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 119064122
acetic acid;(1S,3R,4R)-3-amino-4-hydroxy-N-[(5-methoxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide
CID 155938523
(5R)-3-benzhydryl-N-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42457545
N-[[4-(phenoxymethyl)thiophen-2-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 131938183
N-[(5-methoxy-1H-indol-2-yl)methyl]-2-[[(2R)-oxan-2-yl]methoxy]acetamide
CID 124753443
N-[(5-methoxy-1H-indol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91829682
(5R)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95195216
(5S)-N-[(1,5-dimethylindazol-3-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95200527
(5R)-3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95217301
methyl 2-amino-3-(5-methoxy-1H-indol-2-yl)propanoate
CID 68805241
3-(5-methoxy-1H-indol-2-yl)propanoic acid
CID 18987712
(5S)-3-propan-2-yl-N-(2-pyridin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 164641091

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1H-indol-2-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(5-methoxy-1H-indol-2-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 131952288) is N-[(5-methoxy-1H-indol-2-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(5-methoxy-1H-indol-2-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(5-methoxy-1H-indol-2-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc2[nH]c(CNC(=O)C3CC(C(C)C)=NO3)cc2c1.
What is the InChIKey of N-[(5-methoxy-1H-indol-2-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is COSMZTUVKWPQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-10(2)15-8-16(23-20-15)17(21)18-9-12-6-11-7-13(22-3)4-5-14(11)19-12/h4-7,10,16,19H,8-9H2,1-3H3,(H,18,21).
What are the key properties of N-[(5-methoxy-1H-indol-2-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[(5-methoxy-1H-indol-2-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1H-indol-2-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 131952288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).