1-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea

C18H23N5O2 — CID 71916540

IUPAC1-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea
SMILESCc1c(CCNC(=O)Nc2ccc3oc(C(C)C)nc3c2)cnn1C
InChIInChI=1S/C18H23N5O2/c1-11(2)17-22-15-9-14(5-6-16(15)25-17)21-18(24)19-8-7-13-10-20-23(4)12(13)3/h5-6,9-11H,7-8H2,1-4H3,(H2,19,21,24)
InChIKeyNYKJZTOCAOGGKX-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.36
Rot. Bonds5

About 1-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea

1-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea (PubChem CID 71916540) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea.

Molecular Properties

Compound Name1-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea
PubChem CID71916540
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea
SMILESCc1c(CCNC(=O)Nc2ccc3oc(C(C)C)nc3c2)cnn1C
InChIInChI=1S/C18H23N5O2/c1-11(2)17-22-15-9-14(5-6-16(15)25-17)21-18(24)19-8-7-13-10-20-23(4)12(13)3/h5-6,9-11H,7-8H2,1-4H3,(H2,19,21,24)
InChIKeyNYKJZTOCAOGGKX-UHFFFAOYSA-N
XLogP3.36
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea with MolForge

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Related Compounds

2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 60843076
2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide
CID 43711177
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 46416382
3-amino-4-oxo-4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 64895304
(2S,3S)-2-amino-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)pentanamide
CID 61179344
2-methyl-N-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
CID 46416362
5-methyl-1-(4-methylphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)triazole-4-carboxamide
CID 55910593
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide
CID 81257574
5-bromo-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 60509237
2-methoxy-N-[3-oxo-3-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propyl]benzamide
CID 46401809
2-ethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401841
3,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46424516

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea?
The IUPAC name of 1-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea (CID 71916540) is 1-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea.
What is the SMILES notation for 1-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea?
The canonical SMILES for 1-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea is Cc1c(CCNC(=O)Nc2ccc3oc(C(C)C)nc3c2)cnn1C.
What is the InChIKey of 1-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea?
The InChIKey is NYKJZTOCAOGGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-11(2)17-22-15-9-14(5-6-16(15)25-17)21-18(24)19-8-7-13-10-20-23(4)12(13)3/h5-6,9-11H,7-8H2,1-4H3,(H2,19,21,24).
What are the key properties of 1-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea?
1-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea has a molecular weight of 341.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea is sourced from PubChem (CID 71916540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).