N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C22H22N4O4 — CID 27152244

IUPACN-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCOc1ccc([C@@H](NC(=O)CCn2c(=O)oc3ccccc32)c2nccn2C)cc1
InChIInChI=1S/C22H22N4O4/c1-25-14-12-23-21(25)20(15-7-9-16(29-2)10-8-15)24-19(27)11-13-26-17-5-3-4-6-18(17)30-22(26)28/h3-10,12,14,20H,11,13H2,1-2H3,(H,24,27)/t20-/m1/s1
InChIKeyRYRFVKBMUXHBJN-HXUWFJFHSA-N
MW406.44 g/mol
LogP2.63
Rot. Bonds7

About N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 27152244) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID27152244
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC NameN-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCOc1ccc([C@@H](NC(=O)CCn2c(=O)oc3ccccc32)c2nccn2C)cc1
InChIInChI=1S/C22H22N4O4/c1-25-14-12-23-21(25)20(15-7-9-16(29-2)10-8-15)24-19(27)11-13-26-17-5-3-4-6-18(17)30-22(26)28/h3-10,12,14,20H,11,13H2,1-2H3,(H,24,27)/t20-/m1/s1
InChIKeyRYRFVKBMUXHBJN-HXUWFJFHSA-N
XLogP2.63
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
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N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
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N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide
CID 17488613
2-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
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N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
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3-indol-1-yl-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
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3-(2-oxo-1,3-benzoxazol-3-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide
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3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 25346365
4-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-oxobutanamide
CID 134024637
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 27152244) is N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is COc1ccc([C@@H](NC(=O)CCn2c(=O)oc3ccccc32)c2nccn2C)cc1.
What is the InChIKey of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is RYRFVKBMUXHBJN-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-25-14-12-23-21(25)20(15-7-9-16(29-2)10-8-15)24-19(27)11-13-26-17-5-3-4-6-18(17)30-22(26)28/h3-10,12,14,20H,11,13H2,1-2H3,(H,24,27)/t20-/m1/s1.
What are the key properties of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 406.44 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 27152244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).