2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide

C20H18N6O3 — CID 122312071

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
SMILESCc1noc(C)c1CC(=O)Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1
InChIInChI=1S/C20H18N6O3/c1-13-17(14(2)29-25-13)9-19(27)24-15-3-5-16(6-4-15)28-20-10-18(22-11-23-20)26-8-7-21-12-26/h3-8,10-12H,9H2,1-2H3,(H,24,27)
InChIKeyKEFLTPMCFFKXNC-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.24
Rot. Bonds6

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide (PubChem CID 122312071) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
PubChem CID122312071
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
SMILESCc1noc(C)c1CC(=O)Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1
InChIInChI=1S/C20H18N6O3/c1-13-17(14(2)29-25-13)9-19(27)24-15-3-5-16(6-4-15)28-20-10-18(22-11-23-20)26-8-7-21-12-26/h3-8,10-12H,9H2,1-2H3,(H,24,27)
InChIKeyKEFLTPMCFFKXNC-UHFFFAOYSA-N
XLogP3.24
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3,5-dimethylbenzamide
CID 122311892
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122312189
4-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122311866
1-(4-fluorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropane-1-carboxamide
CID 122312105
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122311988
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide
CID 122312000
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 47044065
(E)-3-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide
CID 122312112
1-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopentane-1-carboxamide
CID 122312038
1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122311934
2,4-dichloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122311868
2-(2-methoxyphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309055

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide (CID 122312071) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide is Cc1noc(C)c1CC(=O)Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide?
The InChIKey is KEFLTPMCFFKXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-13-17(14(2)29-25-13)9-19(27)24-15-3-5-16(6-4-15)28-20-10-18(22-11-23-20)26-8-7-21-12-26/h3-8,10-12H,9H2,1-2H3,(H,24,27).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide has a molecular weight of 390.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide is sourced from PubChem (CID 122312071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).