N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-5-propyl-1,2-oxazole-3-carboxamide

C19H25N3O2 — CID 96581160

IUPACN-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)no1
InChIInChI=1S/C19H25N3O2/c1-2-8-16-13-17(21-24-16)19(23)20-18(14-22-11-6-7-12-22)15-9-4-3-5-10-15/h3-5,9-10,13,18H,2,6-8,11-12,14H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyFMVOOKIYLHPSJI-GOSISDBHSA-N
MW327.43 g/mol
LogP3.19
Rot. Bonds7

About N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-5-propyl-1,2-oxazole-3-carboxamide

N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 96581160) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID96581160
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)no1
InChIInChI=1S/C19H25N3O2/c1-2-8-16-13-17(21-24-16)19(23)20-18(14-22-11-6-7-12-22)15-9-4-3-5-10-15/h3-5,9-10,13,18H,2,6-8,11-12,14H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyFMVOOKIYLHPSJI-GOSISDBHSA-N
XLogP3.19
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide
CID 95595921
N-(2-morpholin-4-yl-1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 45132972
2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 57190770
5-(morpholin-4-ylmethyl)-N-[(1R)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 92725034
(1R)-N-ethyl-1-phenyl-2-pyrrolidin-1-ylethanamine;molecular hydrogen
CID 143114287
1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 110892901
3-(1-methylpyrrol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 70755650
N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(pyrazol-1-ylmethyl)benzamide
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N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96572832
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
3-methoxy-2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 72870049
5-propyl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-1,2-oxazole-3-carboxamide
CID 102602881

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-5-propyl-1,2-oxazole-3-carboxamide (CID 96581160) is N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)no1.
What is the InChIKey of N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is FMVOOKIYLHPSJI-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-8-16-13-17(21-24-16)19(23)20-18(14-22-11-6-7-12-22)15-9-4-3-5-10-15/h3-5,9-10,13,18H,2,6-8,11-12,14H2,1H3,(H,20,23)/t18-/m1/s1.
What are the key properties of N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-5-propyl-1,2-oxazole-3-carboxamide?
N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 96581160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).