2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

C20H18ClN3O2 — CID 17488528

IUPAC2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESNC(=O)C1Cc2ccccc2CN1Cc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H18ClN3O2/c21-16-7-5-13(6-8-16)18-10-23-19(26-18)12-24-11-15-4-2-1-3-14(15)9-17(24)20(22)25/h1-8,10,17H,9,11-12H2,(H2,22,25)
InChIKeyVAERBMDDWWBYDV-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.41
Rot. Bonds4

About 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 17488528) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID17488528
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESNC(=O)C1Cc2ccccc2CN1Cc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H18ClN3O2/c21-16-7-5-13(6-8-16)18-10-23-19(26-18)12-24-11-15-4-2-1-3-14(15)9-17(24)20(22)25/h1-8,10,17H,9,11-12H2,(H2,22,25)
InChIKeyVAERBMDDWWBYDV-UHFFFAOYSA-N
XLogP3.41
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788948
(3S)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55930345
2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 17459602
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 18089162
(3S)-2-(2,1,3-benzoxadiazol-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 99951668
(3S)-2-(cyanomethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55935265
(3S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 87040166
(3S)-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 24581914
2-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 77089392
(3S)-2-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 99832420
(3S)-2-[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 87040234
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542755

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 17488528) is 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is NC(=O)C1Cc2ccccc2CN1Cc1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is VAERBMDDWWBYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-16-7-5-13(6-8-16)18-10-23-19(26-18)12-24-11-15-4-2-1-3-14(15)9-17(24)20(22)25/h1-8,10,17H,9,11-12H2,(H2,22,25).
What are the key properties of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 17488528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).