1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea

C16H17N5O2 — CID 94779070

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea
SMILESCc1cc(NC(=O)N[C@@H](C)c2ncc(-c3ccccc3)[nH]2)no1
InChIInChI=1S/C16H17N5O2/c1-10-8-14(21-23-10)20-16(22)18-11(2)15-17-9-13(19-15)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,17,19)(H2,18,20,21,22)/t11-/m0/s1
InChIKeyIWVYEAUSUFEPEE-NSHDSACASA-N
MW311.35 g/mol
LogP3.26
Rot. Bonds4

About 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea

1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea (PubChem CID 94779070) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea
PubChem CID94779070
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea
SMILESCc1cc(NC(=O)N[C@@H](C)c2ncc(-c3ccccc3)[nH]2)no1
InChIInChI=1S/C16H17N5O2/c1-10-8-14(21-23-10)20-16(22)18-11(2)15-17-9-13(19-15)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,17,19)(H2,18,20,21,22)/t11-/m0/s1
InChIKeyIWVYEAUSUFEPEE-NSHDSACASA-N
XLogP3.26
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea with MolForge

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Related Compounds

1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(5-phenyl-1H-imidazol-2-yl)propyl]urea
CID 47076390
5-methyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 95301132
1-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-3-pyridin-2-ylurea
CID 94825570
2,5-dimethyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 95595238
2,5-dimethyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 56822371
N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 1451049
2-methyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 47084188
N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 94798661
1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 94017430
2-iodo-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide
CID 47084192
(1R)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 94806747
(1S)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 94806749

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea (CID 94779070) is 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea is Cc1cc(NC(=O)N[C@@H](C)c2ncc(-c3ccccc3)[nH]2)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea?
The InChIKey is IWVYEAUSUFEPEE-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10-8-14(21-23-10)20-16(22)18-11(2)15-17-9-13(19-15)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,17,19)(H2,18,20,21,22)/t11-/m0/s1.
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea has a molecular weight of 311.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea is sourced from PubChem (CID 94779070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).