N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

C19H17N5O3 — CID 47052934

IUPACN-[4-(prop-2-enylcarbamoylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1
InChIInChI=1S/C19H17N5O3/c1-2-9-21-19(26)23-15-7-5-14(6-8-15)22-18(25)16-11-17(27-24-16)13-4-3-10-20-12-13/h2-8,10-12H,1,9H2,(H,22,25)(H2,21,23,26)
InChIKeyRVPHYLAATGXJPT-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.30
Rot. Bonds6

About N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 47052934) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(prop-2-enylcarbamoylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID47052934
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC NameN-[4-(prop-2-enylcarbamoylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1
InChIInChI=1S/C19H17N5O3/c1-2-9-21-19(26)23-15-7-5-14(6-8-15)22-18(25)16-11-17(27-24-16)13-4-3-10-20-12-13/h2-8,10-12H,1,9H2,(H,22,25)(H2,21,23,26)
InChIKeyRVPHYLAATGXJPT-UHFFFAOYSA-N
XLogP3.30
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 47048043
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
N-[4-(1-phenylethylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 48500589
1-(2-oxo-6-pyridin-3-ylpyran-3-yl)-3-prop-2-enylurea
CID 67108929
N-[3-(dimethylamino)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 53051794
5-pyridin-3-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,2-oxazole-3-carboxamide
CID 51117222
N-(2-chloro-3-pyridinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 17253103
N-(2-methyl-1,3-benzoxazol-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 46491961
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 71893214
N-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986112
ethyl 3-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 53051791
N-[3-methyl-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 119049246

Frequently Asked Questions

What is the IUPAC name of N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 47052934) is N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1.
What is the InChIKey of N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is RVPHYLAATGXJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-2-9-21-19(26)23-15-7-5-14(6-8-15)22-18(25)16-11-17(27-24-16)13-4-3-10-20-12-13/h2-8,10-12H,1,9H2,(H,22,25)(H2,21,23,26).
What are the key properties of N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 47052934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).