(2S)-N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide

C14H21N3O2 — CID 94038570

IUPAC(2S)-N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1noc(C)c1CN1CCC[C@H]1C(=O)NC1CC1
InChIInChI=1S/C14H21N3O2/c1-9-12(10(2)19-16-9)8-17-7-3-4-13(17)14(18)15-11-5-6-11/h11,13H,3-8H2,1-2H3,(H,15,18)/t13-/m0/s1
InChIKeyOVVVKEBRPKAMCX-ZDUSSCGKSA-N
MW263.34 g/mol
LogP1.53
Rot. Bonds4

About (2S)-N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide

(2S)-N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 94038570) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID94038570
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(2S)-N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1noc(C)c1CN1CCC[C@H]1C(=O)NC1CC1
InChIInChI=1S/C14H21N3O2/c1-9-12(10(2)19-16-9)8-17-7-3-4-13(17)14(18)15-11-5-6-11/h11,13H,3-8H2,1-2H3,(H,15,18)/t13-/m0/s1
InChIKeyOVVVKEBRPKAMCX-ZDUSSCGKSA-N
XLogP1.53
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-2-carboxamide
CID 86924416
2-N-cyclopropyl-1-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide
CID 75388720
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61176273
N-cyclopropyl-1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidine-2-carboxamide
CID 146124522
(2S)-N-cyclopropyl-1-ethylpyrrolidine-2-carboxamide
CID 89087707
1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119909283
(2R,3aS,7aS)-N-cyclopropyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366523
N-cyclopropyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 118744023
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide
CID 75527495
(2R)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide
CID 98042032
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579
N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18105931

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide (CID 94038570) is (2S)-N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide is Cc1noc(C)c1CN1CCC[C@H]1C(=O)NC1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is OVVVKEBRPKAMCX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-12(10(2)19-16-9)8-17-7-3-4-13(17)14(18)15-11-5-6-11/h11,13H,3-8H2,1-2H3,(H,15,18)/t13-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide?
(2S)-N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 94038570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).