3-chloro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide

C17H18ClN3O3 — CID 53195398

IUPAC3-chloro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide
SMILESCc1oc(CNC(=O)c2cccc(Cl)c2)nc1C(=O)N1CCCC1
InChIInChI=1S/C17H18ClN3O3/c1-11-15(17(23)21-7-2-3-8-21)20-14(24-11)10-19-16(22)12-5-4-6-13(18)9-12/h4-6,9H,2-3,7-8,10H2,1H3,(H,19,22)
InChIKeySMWLNTFJKFCDKB-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.80
Rot. Bonds4

About 3-chloro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide

3-chloro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide (PubChem CID 53195398) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 3-chloro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide
PubChem CID53195398
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name3-chloro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide
SMILESCc1oc(CNC(=O)c2cccc(Cl)c2)nc1C(=O)N1CCCC1
InChIInChI=1S/C17H18ClN3O3/c1-11-15(17(23)21-7-2-3-8-21)20-14(24-11)10-19-16(22)12-5-4-6-13(18)9-12/h4-6,9H,2-3,7-8,10H2,1H3,(H,19,22)
InChIKeySMWLNTFJKFCDKB-UHFFFAOYSA-N
XLogP2.80
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide
CID 53195374
N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 53195409
3-(azepan-1-ylsulfonyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 87043422
2-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide
CID 53195525
3-chloro-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzamide
CID 25218348
3-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
CID 90536049
3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 91966623
3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 47344966
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide
CID 106377771
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide
CID 55692999
3-chloro-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 1468320

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide?
The IUPAC name of 3-chloro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide (CID 53195398) is 3-chloro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide?
The canonical SMILES for 3-chloro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide is Cc1oc(CNC(=O)c2cccc(Cl)c2)nc1C(=O)N1CCCC1.
What is the InChIKey of 3-chloro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide?
The InChIKey is SMWLNTFJKFCDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-11-15(17(23)21-7-2-3-8-21)20-14(24-11)10-19-16(22)12-5-4-6-13(18)9-12/h4-6,9H,2-3,7-8,10H2,1H3,(H,19,22).
What are the key properties of 3-chloro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide?
3-chloro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide has a molecular weight of 347.80 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide is sourced from PubChem (CID 53195398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).