[4-(4-methoxyphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]carbamic acid

C21H18N4O4 — CID 91239148

IUPAC[4-(4-methoxyphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]carbamic acid
SMILESCOc1ccc(C2(c3cccc(-c4cncnc4)c3)COC(NC(=O)O)=N2)cc1
InChIInChI=1S/C21H18N4O4/c1-28-18-7-5-16(6-8-18)21(12-29-19(25-21)24-20(26)27)17-4-2-3-14(9-17)15-10-22-13-23-11-15/h2-11,13H,12H2,1H3,(H,24,25)(H,26,27)
InChIKeyQQVVCVHNWOPNRH-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.05
Rot. Bonds4

About [4-(4-methoxyphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]carbamic acid

[4-(4-methoxyphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]carbamic acid (PubChem CID 91239148) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]carbamic acid
PubChem CID91239148
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC Name[4-(4-methoxyphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]carbamic acid
SMILESCOc1ccc(C2(c3cccc(-c4cncnc4)c3)COC(NC(=O)O)=N2)cc1
InChIInChI=1S/C21H18N4O4/c1-28-18-7-5-16(6-8-18)21(12-29-19(25-21)24-20(26)27)17-4-2-3-14(9-17)15-10-22-13-23-11-15/h2-11,13H,12H2,1H3,(H,24,25)(H,26,27)
InChIKeyQQVVCVHNWOPNRH-UHFFFAOYSA-N
XLogP3.05
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[[4-(4-methoxyphenyl)-4-[3-(5-methoxy-3-pyridinyl)phenyl]-5H-1,3-oxazol-2-yl]amino] formate
CID 87365849
[[4-[4-(difluoromethoxy)-2-methylphenyl]-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]amino] formate
CID 87364784
[[4-[4-(difluoromethoxy)-3-methylphenyl]-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]amino] formate
CID 87364471
[[(4S)-4-(4-chlorophenyl)-4-[3-(3-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-yl]amino] formate
CID 87364761
4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
CID 67347587
(4S)-4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine
CID 67347062
[[4-[3-(3-chlorophenyl)phenyl]-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-yl]amino] formate
CID 87365560
4-[3-(6-fluoro-3-pyridinyl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine;propane
CID 143850368
[[4-(3-methyl-4-propan-2-yloxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-yl]amino] formate
CID 87364987
2-(4-methoxyphenyl)-5-propan-2-yl-2-(3-pyrimidin-5-ylphenyl)imidazol-4-amine
CID 71459167
1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83556280
amino (4S)-4-[4-fluoro-3-(3-methoxyphenyl)phenyl]-4-phenyl-5H-1,3-oxazole-2-carboxylate
CID 70968331

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]carbamic acid?
The IUPAC name of [4-(4-methoxyphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]carbamic acid (CID 91239148) is [4-(4-methoxyphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]carbamic acid.
What is the SMILES notation for [4-(4-methoxyphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]carbamic acid?
The canonical SMILES for [4-(4-methoxyphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]carbamic acid is COc1ccc(C2(c3cccc(-c4cncnc4)c3)COC(NC(=O)O)=N2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]carbamic acid?
The InChIKey is QQVVCVHNWOPNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c1-28-18-7-5-16(6-8-18)21(12-29-19(25-21)24-20(26)27)17-4-2-3-14(9-17)15-10-22-13-23-11-15/h2-11,13H,12H2,1H3,(H,24,25)(H,26,27).
What are the key properties of [4-(4-methoxyphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]carbamic acid?
[4-(4-methoxyphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]carbamic acid has a molecular weight of 390.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]carbamic acid is sourced from PubChem (CID 91239148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).