N-(4-methoxyphenyl)-3-pyridin-2-yl-5-(pyridin-3-ylcarbamoylamino)-1,2-oxazole-4-carboxamide

C22H18N6O4 — CID 91290030

IUPACN-(4-methoxyphenyl)-3-pyridin-2-yl-5-(pyridin-3-ylcarbamoylamino)-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(-c3ccccn3)noc2NC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C22H18N6O4/c1-31-16-9-7-14(8-10-16)25-20(29)18-19(17-6-2-3-12-24-17)28-32-21(18)27-22(30)26-15-5-4-11-23-13-15/h2-13H,1H3,(H,25,29)(H2,26,27,30)
InChIKeyRPGMOPYLVZCWEI-UHFFFAOYSA-N
MW430.42 g/mol
LogP4.04
Rot. Bonds6

About N-(4-methoxyphenyl)-3-pyridin-2-yl-5-(pyridin-3-ylcarbamoylamino)-1,2-oxazole-4-carboxamide

N-(4-methoxyphenyl)-3-pyridin-2-yl-5-(pyridin-3-ylcarbamoylamino)-1,2-oxazole-4-carboxamide (PubChem CID 91290030) has the molecular formula C22H18N6O4 and a molecular weight of 430.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-pyridin-2-yl-5-(pyridin-3-ylcarbamoylamino)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-pyridin-2-yl-5-(pyridin-3-ylcarbamoylamino)-1,2-oxazole-4-carboxamide
PubChem CID91290030
Molecular FormulaC22H18N6O4
Molecular Weight430.42 g/mol
Exact Mass430.14
IUPAC NameN-(4-methoxyphenyl)-3-pyridin-2-yl-5-(pyridin-3-ylcarbamoylamino)-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(-c3ccccn3)noc2NC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C22H18N6O4/c1-31-16-9-7-14(8-10-16)25-20(29)18-19(17-6-2-3-12-24-17)28-32-21(18)27-22(30)26-15-5-4-11-23-13-15/h2-13H,1H3,(H,25,29)(H2,26,27,30)
InChIKeyRPGMOPYLVZCWEI-UHFFFAOYSA-N
XLogP4.04
TPSA131.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
CID 91517925
5-amino-N-(3,5-dimethoxyphenyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
CID 91086247
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
N-propanoyl-5-(propanoylamino)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
CID 5304260
2-[4-(pyridin-3-ylcarbamoylamino)phenoxy]acetic acid
CID 63773250
N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinyl]acetamide
CID 51552612
N-(3-methoxyphenyl)-2-pyridin-2-ylpyridine-3-carboxamide
CID 10125587
N-(4-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259038
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide
CID 112983018
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
1,3-bis(4-methoxyphenyl)urea
CID 139045428

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-pyridin-2-yl-5-(pyridin-3-ylcarbamoylamino)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-3-pyridin-2-yl-5-(pyridin-3-ylcarbamoylamino)-1,2-oxazole-4-carboxamide (CID 91290030) is N-(4-methoxyphenyl)-3-pyridin-2-yl-5-(pyridin-3-ylcarbamoylamino)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-pyridin-2-yl-5-(pyridin-3-ylcarbamoylamino)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-pyridin-2-yl-5-(pyridin-3-ylcarbamoylamino)-1,2-oxazole-4-carboxamide is COc1ccc(NC(=O)c2c(-c3ccccn3)noc2NC(=O)Nc2cccnc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-pyridin-2-yl-5-(pyridin-3-ylcarbamoylamino)-1,2-oxazole-4-carboxamide?
The InChIKey is RPGMOPYLVZCWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O4/c1-31-16-9-7-14(8-10-16)25-20(29)18-19(17-6-2-3-12-24-17)28-32-21(18)27-22(30)26-15-5-4-11-23-13-15/h2-13H,1H3,(H,25,29)(H2,26,27,30).
What are the key properties of N-(4-methoxyphenyl)-3-pyridin-2-yl-5-(pyridin-3-ylcarbamoylamino)-1,2-oxazole-4-carboxamide?
N-(4-methoxyphenyl)-3-pyridin-2-yl-5-(pyridin-3-ylcarbamoylamino)-1,2-oxazole-4-carboxamide has a molecular weight of 430.42 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-pyridin-2-yl-5-(pyridin-3-ylcarbamoylamino)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 91290030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).