1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea

C21H18N4O3 — CID 2764630

IUPAC1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea
SMILESCc1onc(-c2ccccc2)c1NC(=O)Nc1c(-c2ccccc2)noc1C
InChIInChI=1S/C21H18N4O3/c1-13-17(19(24-27-13)15-9-5-3-6-10-15)22-21(26)23-18-14(2)28-25-20(18)16-11-7-4-8-12-16/h3-12H,1-2H3,(H2,22,23,26)
InChIKeyUXNRZRDQHDHVAN-UHFFFAOYSA-N
MW374.40 g/mol
LogP5.26
Rot. Bonds4

About 1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea

1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea (PubChem CID 2764630) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea.

Molecular Properties

Compound Name1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea
PubChem CID2764630
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea
SMILESCc1onc(-c2ccccc2)c1NC(=O)Nc1c(-c2ccccc2)noc1C
InChIInChI=1S/C21H18N4O3/c1-13-17(19(24-27-13)15-9-5-3-6-10-15)22-21(26)23-18-14(2)28-25-20(18)16-11-7-4-8-12-16/h3-12H,1-2H3,(H2,22,23,26)
InChIKeyUXNRZRDQHDHVAN-UHFFFAOYSA-N
XLogP5.26
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.40
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-(2-phenoxyphenyl)urea
CID 2813151
1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea
CID 2812477
1-benzyl-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1-propan-2-ylurea
CID 2814460
N-[(2Z)-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoylimino]ethyl]acetamide
CID 143564682
[(1R)-1-(2-bromophenyl)ethyl] N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate
CID 59074061
6-amino-5-chloro-N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyridine-3-carboxamide
CID 167760124
N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 138046221
4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid
CID 58833412
(E)-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)prop-2-enoic acid
CID 170872194
5-methyl-N-(1,2-oxazol-3-yl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 1244977
1-[4-[4-[4-(ethoxycarbonylamino)-5-methyl-1,2-oxazol-3-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66964442
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrol-1-ylmethanone
CID 2803917

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea?
The IUPAC name of 1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea (CID 2764630) is 1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea.
What is the SMILES notation for 1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea?
The canonical SMILES for 1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea is Cc1onc(-c2ccccc2)c1NC(=O)Nc1c(-c2ccccc2)noc1C.
What is the InChIKey of 1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea?
The InChIKey is UXNRZRDQHDHVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-13-17(19(24-27-13)15-9-5-3-6-10-15)22-21(26)23-18-14(2)28-25-20(18)16-11-7-4-8-12-16/h3-12H,1-2H3,(H2,22,23,26).
What are the key properties of 1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea?
1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea has a molecular weight of 374.40 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea is sourced from PubChem (CID 2764630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).