N-[2-oxo-2-(pyrazolidin-4-ylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C15H17N5O3 — CID 75617038

IUPACN-[2-oxo-2-(pyrazolidin-4-ylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(CNC(=O)c1cc(-c2ccccc2)on1)NC1CNNC1
InChIInChI=1S/C15H17N5O3/c21-14(19-11-7-17-18-8-11)9-16-15(22)12-6-13(23-20-12)10-4-2-1-3-5-10/h1-6,11,17-18H,7-9H2,(H,16,22)(H,19,21)
InChIKeyQXIKDCZFFOTWEV-UHFFFAOYSA-N
MW315.33 g/mol
LogP-0.34
Rot. Bonds5

About N-[2-oxo-2-(pyrazolidin-4-ylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-oxo-2-(pyrazolidin-4-ylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 75617038) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[2-oxo-2-(pyrazolidin-4-ylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(pyrazolidin-4-ylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID75617038
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC NameN-[2-oxo-2-(pyrazolidin-4-ylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(CNC(=O)c1cc(-c2ccccc2)on1)NC1CNNC1
InChIInChI=1S/C15H17N5O3/c21-14(19-11-7-17-18-8-11)9-16-15(22)12-6-13(23-20-12)10-4-2-1-3-5-10/h1-6,11,17-18H,7-9H2,(H,16,22)(H,19,21)
InChIKeyQXIKDCZFFOTWEV-UHFFFAOYSA-N
XLogP-0.34
TPSA108.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51103232
N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51103315
N-[2-[4-[(2-cyclopentylacetyl)amino]piperidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 86902989
N-[2-(2-ethylanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51262131
N-[2-[[(2R)-1-hydroxypent-4-en-2-yl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 99783279
N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 33379552
N-[2-[[(2S)-2-(dimethylamino)propyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95383413
N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52907100
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52907101
N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 145123844
N-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 146022950
N-(2-cyclopropyl-2-hydroxyethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 63295331

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(pyrazolidin-4-ylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-oxo-2-(pyrazolidin-4-ylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 75617038) is N-[2-oxo-2-(pyrazolidin-4-ylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(pyrazolidin-4-ylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-oxo-2-(pyrazolidin-4-ylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(CNC(=O)c1cc(-c2ccccc2)on1)NC1CNNC1.
What is the InChIKey of N-[2-oxo-2-(pyrazolidin-4-ylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is QXIKDCZFFOTWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c21-14(19-11-7-17-18-8-11)9-16-15(22)12-6-13(23-20-12)10-4-2-1-3-5-10/h1-6,11,17-18H,7-9H2,(H,16,22)(H,19,21).
What are the key properties of N-[2-oxo-2-(pyrazolidin-4-ylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-oxo-2-(pyrazolidin-4-ylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 315.33 g/mol, XLogP of -0.34, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(pyrazolidin-4-ylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75617038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).