N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide

C20H27N3O2 — CID 86964206

IUPACN-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide
SMILESCCCN1CCCC1C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1
InChIInChI=1S/C20H27N3O2/c1-4-11-23-12-5-6-17(23)19(24)22-16-9-7-15(8-10-16)20-21-13-18(25-20)14(2)3/h7-10,13-14,17H,4-6,11-12H2,1-3H3,(H,22,24)
InChIKeyPRWISZPQJRSVDP-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.28
Rot. Bonds6

About N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide

N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide (PubChem CID 86964206) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide
PubChem CID86964206
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide
SMILESCCCN1CCCC1C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1
InChIInChI=1S/C20H27N3O2/c1-4-11-23-12-5-6-17(23)19(24)22-16-9-7-15(8-10-16)20-21-13-18(25-20)14(2)3/h7-10,13-14,17H,4-6,11-12H2,1-3H3,(H,22,24)
InChIKeyPRWISZPQJRSVDP-UHFFFAOYSA-N
XLogP4.28
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide
CID 97098726
1-N-phenyl-4-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]piperidine-1,4-dicarboxamide
CID 86964171
N-[4-[2-[4-[[1-(cyclobutanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-1-[cyclobutyl(hydroxy)methyl]pyrrolidine-2-carboxamide
CID 123562081
N-(6-oxo-1H-pyridin-3-yl)-1-propylpyrrolidine-2-carboxamide
CID 172840482
(2S)-1-(3,3,3-trifluoro-2-hydroxypropanoyl)-N-[4-[2-[4-[[(2S)-1-(3,3,3-trifluoro-2-hydroxypropanoyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 87352460
1-[2-(1-methylpyrrol-2-yl)acetyl]-N-[4-[2-[4-[[1-[2-(1-methylpyrrol-2-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 78042890
3-[[(2S)-1-propylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 129407602
1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea
CID 100691281
(2S)-1-(oxolane-2-carbonyl)-N-[4-[2-[4-[[(2S)-1-(oxolane-2-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 67313325
(2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 53302967
1-(1-hydroxypropan-2-yl)-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea
CID 111463122
2-ethylsulfanyl-3-methyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]butanamide
CID 86963539

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide (CID 86964206) is N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide is CCCN1CCCC1C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1.
What is the InChIKey of N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide?
The InChIKey is PRWISZPQJRSVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-11-23-12-5-6-17(23)19(24)22-16-9-7-15(8-10-16)20-21-13-18(25-20)14(2)3/h7-10,13-14,17H,4-6,11-12H2,1-3H3,(H,22,24).
What are the key properties of N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide?
N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 86964206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).