N,1-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]indole-3-carboxamide

C20H18N4O2 — CID 91773666

IUPACN,1-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]indole-3-carboxamide
SMILESCN(Cc1cc(-c2cccnc2)no1)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C20H18N4O2/c1-23-13-17(16-7-3-4-8-19(16)23)20(25)24(2)12-15-10-18(22-26-15)14-6-5-9-21-11-14/h3-11,13H,12H2,1-2H3
InChIKeyWYBQTCJVWFTQQQ-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.50
Rot. Bonds4

About N,1-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]indole-3-carboxamide

N,1-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]indole-3-carboxamide (PubChem CID 91773666) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N,1-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]indole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]indole-3-carboxamide
PubChem CID91773666
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN,1-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]indole-3-carboxamide
SMILESCN(Cc1cc(-c2cccnc2)no1)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C20H18N4O2/c1-23-13-17(16-7-3-4-8-19(16)23)20(25)24(2)12-15-10-18(22-26-15)14-6-5-9-21-11-14/h3-11,13H,12H2,1-2H3
InChIKeyWYBQTCJVWFTQQQ-UHFFFAOYSA-N
XLogP3.50
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
CID 70777582
N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 91790461
(3S)-N-methyl-2-oxo-1-phenyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 97269100
6-amino-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 70776271
N-methyl-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide
CID 131910648
1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 125447930
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72902762
(3R)-N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95880976
N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56903821
2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetic acid
CID 82282715
2-(dimethylamino)-2-(3-fluorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 50971650
2-(2,5-dimethoxyphenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 70758920

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]indole-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]indole-3-carboxamide (CID 91773666) is N,1-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]indole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]indole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]indole-3-carboxamide is CN(Cc1cc(-c2cccnc2)no1)C(=O)c1cn(C)c2ccccc12.
What is the InChIKey of N,1-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]indole-3-carboxamide?
The InChIKey is WYBQTCJVWFTQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-23-13-17(16-7-3-4-8-19(16)23)20(25)24(2)12-15-10-18(22-26-15)14-6-5-9-21-11-14/h3-11,13H,12H2,1-2H3.
What are the key properties of N,1-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]indole-3-carboxamide?
N,1-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]indole-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]indole-3-carboxamide is sourced from PubChem (CID 91773666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).