N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H20N4O3 — CID 42816802

IUPACN-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(CCNC(=O)C1CC(c2ccccc2)=NO1)NCc1cccnc1
InChIInChI=1S/C19H20N4O3/c24-18(22-13-14-5-4-9-20-12-14)8-10-21-19(25)17-11-16(23-26-17)15-6-2-1-3-7-15/h1-7,9,12,17H,8,10-11,13H2,(H,21,25)(H,22,24)
InChIKeyBKFUWTQDIJKWKJ-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.40
Rot. Bonds7

About N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 42816802) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID42816802
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(CCNC(=O)C1CC(c2ccccc2)=NO1)NCc1cccnc1
InChIInChI=1S/C19H20N4O3/c24-18(22-13-14-5-4-9-20-12-14)8-10-21-19(25)17-11-16(23-26-17)15-6-2-1-3-7-15/h1-7,9,12,17H,8,10-11,13H2,(H,21,25)(H,22,24)
InChIKeyBKFUWTQDIJKWKJ-UHFFFAOYSA-N
XLogP1.40
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-3-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 129360275
3-(4-fluorophenyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46138196
N-(4-benzylphenyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 18510700
3-(4-chlorophenyl)-N-[3-(ethylamino)-3-oxopropyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 24712158
(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136519981
methane;N-methyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 158928882
N-[2-(1H-imidazol-2-yl)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 115649628
(5R)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 30216146
N'-(2-naphthalen-1-ylacetyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide
CID 55668469
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
3-(cyclopentylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109013619
N-[2-(2-methylprop-2-enoxy)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 115700378

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 42816802) is N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(CCNC(=O)C1CC(c2ccccc2)=NO1)NCc1cccnc1.
What is the InChIKey of N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is BKFUWTQDIJKWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-18(22-13-14-5-4-9-20-12-14)8-10-21-19(25)17-11-16(23-26-17)15-6-2-1-3-7-15/h1-7,9,12,17H,8,10-11,13H2,(H,21,25)(H,22,24).
What are the key properties of N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 42816802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).