1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea

C18H21N5O2 — CID 95761803

IUPAC1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea
SMILESCc1nc(-c2ccc(NC(=O)NC[C@@H](C)Cn3cccn3)cc2)co1
InChIInChI=1S/C18H21N5O2/c1-13(11-23-9-3-8-20-23)10-19-18(24)22-16-6-4-15(5-7-16)17-12-25-14(2)21-17/h3-9,12-13H,10-11H2,1-2H3,(H2,19,22,24)/t13-/m1/s1
InChIKeyWCQKXXNPYZSGKJ-CYBMUJFWSA-N
MW339.40 g/mol
LogP3.30
Rot. Bonds6

About 1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea

1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea (PubChem CID 95761803) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea.

Molecular Properties

Compound Name1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea
PubChem CID95761803
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea
SMILESCc1nc(-c2ccc(NC(=O)NC[C@@H](C)Cn3cccn3)cc2)co1
InChIInChI=1S/C18H21N5O2/c1-13(11-23-9-3-8-20-23)10-19-18(24)22-16-6-4-15(5-7-16)17-12-25-14(2)21-17/h3-9,12-13H,10-11H2,1-2H3,(H2,19,22,24)/t13-/m1/s1
InChIKeyWCQKXXNPYZSGKJ-CYBMUJFWSA-N
XLogP3.30
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea?
The IUPAC name of 1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea (CID 95761803) is 1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea.
What is the SMILES notation for 1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea?
The canonical SMILES for 1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea is Cc1nc(-c2ccc(NC(=O)NC[C@@H](C)Cn3cccn3)cc2)co1.
What is the InChIKey of 1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea?
The InChIKey is WCQKXXNPYZSGKJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-13(11-23-9-3-8-20-23)10-19-18(24)22-16-6-4-15(5-7-16)17-12-25-14(2)21-17/h3-9,12-13H,10-11H2,1-2H3,(H2,19,22,24)/t13-/m1/s1.
What are the key properties of 1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea?
1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea has a molecular weight of 339.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea is sourced from PubChem (CID 95761803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).