4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide

C16H19N3O2 — CID 94026641

IUPAC4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide
SMILESCc1cc([C@H]2CCCN2Cc2ccc(C(N)=O)cc2)on1
InChIInChI=1S/C16H19N3O2/c1-11-9-15(21-18-11)14-3-2-8-19(14)10-12-4-6-13(7-5-12)16(17)20/h4-7,9,14H,2-3,8,10H2,1H3,(H2,17,20)/t14-/m1/s1
InChIKeyGRYCKXYUNWTUIO-CQSZACIVSA-N
MW285.35 g/mol
LogP2.42
Rot. Bonds4

About 4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide

4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide (PubChem CID 94026641) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide
PubChem CID94026641
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide
SMILESCc1cc([C@H]2CCCN2Cc2ccc(C(N)=O)cc2)on1
InChIInChI=1S/C16H19N3O2/c1-11-9-15(21-18-11)14-3-2-8-19(14)10-12-4-6-13(7-5-12)16(17)20/h4-7,9,14H,2-3,8,10H2,1H3,(H2,17,20)/t14-/m1/s1
InChIKeyGRYCKXYUNWTUIO-CQSZACIVSA-N
XLogP2.42
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 66854958
3-methyl-5-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 94415528
4-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 95121025
5-[1-[(4-fluorophenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 46952927
3-methyl-5-[(2S)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95056192
3-methyl-5-[(2R)-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 94415401
5-[1-[(3-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 53009613
2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 53009621
4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide
CID 51476383
1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide
CID 47053801
2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 50951702
3-ethyl-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 53035014

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide (CID 94026641) is 4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide is Cc1cc([C@H]2CCCN2Cc2ccc(C(N)=O)cc2)on1.
What is the InChIKey of 4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide?
The InChIKey is GRYCKXYUNWTUIO-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-9-15(21-18-11)14-3-2-8-19(14)10-12-4-6-13(7-5-12)16(17)20/h4-7,9,14H,2-3,8,10H2,1H3,(H2,17,20)/t14-/m1/s1.
What are the key properties of 4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide?
4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide has a molecular weight of 285.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 94026641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).