1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea

C19H23N5O2 — CID 72899675

IUPAC1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea
SMILESCCCn1nc(C)c(CNC(=O)Nc2cccc(-c3cnco3)c2)c1C
InChIInChI=1S/C19H23N5O2/c1-4-8-24-14(3)17(13(2)23-24)10-21-19(25)22-16-7-5-6-15(9-16)18-11-20-12-26-18/h5-7,9,11-12H,4,8,10H2,1-3H3,(H2,21,22,25)
InChIKeyBFUJSPJNZBPRIM-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.89
Rot. Bonds6

About 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea

1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea (PubChem CID 72899675) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea
PubChem CID72899675
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea
SMILESCCCn1nc(C)c(CNC(=O)Nc2cccc(-c3cnco3)c2)c1C
InChIInChI=1S/C19H23N5O2/c1-4-8-24-14(3)17(13(2)23-24)10-21-19(25)22-16-7-5-6-15(9-16)18-11-20-12-26-18/h5-7,9,11-12H,4,8,10H2,1-3H3,(H2,21,22,25)
InChIKeyBFUJSPJNZBPRIM-UHFFFAOYSA-N
XLogP3.89
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 72902943
1-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 86797527
2-amino-N-[3-(1,3-oxazol-5-yl)phenyl]hexanamide
CID 60926904
2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 47265687
2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide
CID 63678754
1-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-pyrrolidin-1-ylsulfonylethyl)urea
CID 72913778
2-(ethylamino)-2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 62835671
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(3-nitrophenyl)urea
CID 27870291
3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide
CID 47051399
3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]but-2-enamide
CID 47353684
3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
CID 54862859
N-[3-(1,3-oxazol-5-yl)phenyl]imidazole-1-carboxamide
CID 81257187

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea?
The IUPAC name of 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea (CID 72899675) is 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea?
The canonical SMILES for 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea is CCCn1nc(C)c(CNC(=O)Nc2cccc(-c3cnco3)c2)c1C.
What is the InChIKey of 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea?
The InChIKey is BFUJSPJNZBPRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-4-8-24-14(3)17(13(2)23-24)10-21-19(25)22-16-7-5-6-15(9-16)18-11-20-12-26-18/h5-7,9,11-12H,4,8,10H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea?
1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea has a molecular weight of 353.43 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea is sourced from PubChem (CID 72899675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).