N-[(3S)-1-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]acetamide

C20H24N4O4 — CID 135088868

IUPACN-[(3S)-1-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(C(=O)c2c(N3CCOCC3)noc2-c2ccccc2)C1
InChIInChI=1S/C20H24N4O4/c1-14(25)21-16-7-8-24(13-16)20(26)17-18(15-5-3-2-4-6-15)28-22-19(17)23-9-11-27-12-10-23/h2-6,16H,7-13H2,1H3,(H,21,25)/t16-/m0/s1
InChIKeyOZCAQTWDVQIMRR-INIZCTEOSA-N
MW384.44 g/mol
LogP1.53
Rot. Bonds4

About N-[(3S)-1-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]acetamide

N-[(3S)-1-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 135088868) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[(3S)-1-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]acetamide
PubChem CID135088868
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-[(3S)-1-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(C(=O)c2c(N3CCOCC3)noc2-c2ccccc2)C1
InChIInChI=1S/C20H24N4O4/c1-14(25)21-16-7-8-24(13-16)20(26)17-18(15-5-3-2-4-6-15)28-22-19(17)23-9-11-27-12-10-23/h2-6,16H,7-13H2,1H3,(H,21,25)/t16-/m0/s1
InChIKeyOZCAQTWDVQIMRR-INIZCTEOSA-N
XLogP1.53
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-aminopiperidin-1-yl)-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone
CID 135087587
[2-(aminomethyl)morpholin-4-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone;hydrochloride
CID 154916307
N-(1-methyl-6-oxopiperidin-3-yl)-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide
CID 135119979
N-[1-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 162822751
3-morpholin-4-yl-5-phenyl-N-[(3S)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
CID 135105344
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone
CID 135099423
(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone
CID 135118204
4-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)piperazin-2-one
CID 135096385
2-azaspiro[4.6]undecan-2-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone
CID 135092562
N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide
CID 135119391
N-methyl-3-morpholin-4-yl-N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-4-carboxamide
CID 137337355
N-[1-[5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 56755434

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]acetamide (CID 135088868) is N-[(3S)-1-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@H]1CCN(C(=O)c2c(N3CCOCC3)noc2-c2ccccc2)C1.
What is the InChIKey of N-[(3S)-1-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is OZCAQTWDVQIMRR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-14(25)21-16-7-8-24(13-16)20(26)17-18(15-5-3-2-4-6-15)28-22-19(17)23-9-11-27-12-10-23/h2-6,16H,7-13H2,1H3,(H,21,25)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]acetamide?
N-[(3S)-1-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 384.44 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 135088868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).