N-[4-[ethylamino(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide

C24H24N4O2 — CID 91040675

IUPACN-[4-[ethylamino(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCNC(c1ccccc1)c1ccc(NC(=O)C2C=C(c3cccnc3)NO2)cc1
InChIInChI=1S/C24H24N4O2/c1-2-26-23(17-7-4-3-5-8-17)18-10-12-20(13-11-18)27-24(29)22-15-21(28-30-22)19-9-6-14-25-16-19/h3-16,22-23,26,28H,2H2,1H3,(H,27,29)
InChIKeyYIOSPRNENGFPKM-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.66
Rot. Bonds7

About N-[4-[ethylamino(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide

N-[4-[ethylamino(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 91040675) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[4-[ethylamino(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[ethylamino(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID91040675
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[4-[ethylamino(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCNC(c1ccccc1)c1ccc(NC(=O)C2C=C(c3cccnc3)NO2)cc1
InChIInChI=1S/C24H24N4O2/c1-2-26-23(17-7-4-3-5-8-17)18-10-12-20(13-11-18)27-24(29)22-15-21(28-30-22)19-9-6-14-25-16-19/h3-16,22-23,26,28H,2H2,1H3,(H,27,29)
InChIKeyYIOSPRNENGFPKM-UHFFFAOYSA-N
XLogP3.66
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide
CID 90722641
(5S)-N-[4-[hydroxy(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide
CID 91198422
3-cyano-3-phenyl-3-[4-[(3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 90913968
N-[4-(1-cyano-2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide
CID 90873632
N-[4-(chloro-cyano-phenylmethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide
CID 91175450
N-[4-[ethylamino(phenyl)methyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide
CID 139923399
N'-hydroxy-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboximidamide
CID 57265822
(5S)-N-[4-[chloro(phenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 69194040
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 43488958
N-[(4-butan-2-ylphenyl)-pyridin-3-ylmethyl]ethanamine
CID 43490300
2-phenyl-2-[4-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]phenyl]acetyl chloride
CID 86590906
N-benzhydrylethanamine;ethane
CID 142974710

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethylamino(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-[ethylamino(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide (CID 91040675) is N-[4-[ethylamino(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-[ethylamino(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-[ethylamino(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide is CCNC(c1ccccc1)c1ccc(NC(=O)C2C=C(c3cccnc3)NO2)cc1.
What is the InChIKey of N-[4-[ethylamino(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is YIOSPRNENGFPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-2-26-23(17-7-4-3-5-8-17)18-10-12-20(13-11-18)27-24(29)22-15-21(28-30-22)19-9-6-14-25-16-19/h3-16,22-23,26,28H,2H2,1H3,(H,27,29).
What are the key properties of N-[4-[ethylamino(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide?
N-[4-[ethylamino(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 3.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethylamino(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91040675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).