1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-[(1R)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]urea

C20H24N6O2 — CID 97433882

IUPAC1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-[(1R)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]urea
SMILESCc1cnn([C@H](C)C2CC2)c1NC(=O)NCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C20H24N6O2/c1-13-11-22-26(14(2)16-8-9-16)19(13)24-20(27)21-12-18-23-17(25-28-18)10-15-6-4-3-5-7-15/h3-7,11,14,16H,8-10,12H2,1-2H3,(H2,21,24,27)/t14-/m1/s1
InChIKeyLQCINVRPAYEJFH-CQSZACIVSA-N
MW380.45 g/mol
LogP3.46
Rot. Bonds7

About 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-[(1R)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]urea

1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-[(1R)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]urea (PubChem CID 97433882) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-[(1R)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]urea.

Molecular Properties

Compound Name1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-[(1R)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]urea
PubChem CID97433882
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-[(1R)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]urea
SMILESCc1cnn([C@H](C)C2CC2)c1NC(=O)NCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C20H24N6O2/c1-13-11-22-26(14(2)16-8-9-16)19(13)24-20(27)21-12-18-23-17(25-28-18)10-15-6-4-3-5-7-15/h3-7,11,14,16H,8-10,12H2,1-2H3,(H2,21,24,27)/t14-/m1/s1
InChIKeyLQCINVRPAYEJFH-CQSZACIVSA-N
XLogP3.46
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide
CID 47437849
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide
CID 61464371
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide;formic acid
CID 154910005
1-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 118770678
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2,4-difluorophenyl)urea
CID 47081549
(5R)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 92614488
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide
CID 43663077
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid
CID 43471044
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 104696520
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine
CID 43663072
2-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanamine
CID 63347141
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylcyclopropan-1-amine
CID 113485424

Frequently Asked Questions

What is the IUPAC name of 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-[(1R)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]urea?
The IUPAC name of 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-[(1R)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]urea (CID 97433882) is 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-[(1R)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]urea.
What is the SMILES notation for 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-[(1R)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]urea?
The canonical SMILES for 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-[(1R)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]urea is Cc1cnn([C@H](C)C2CC2)c1NC(=O)NCc1nc(Cc2ccccc2)no1.
What is the InChIKey of 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-[(1R)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]urea?
The InChIKey is LQCINVRPAYEJFH-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-13-11-22-26(14(2)16-8-9-16)19(13)24-20(27)21-12-18-23-17(25-28-18)10-15-6-4-3-5-7-15/h3-7,11,14,16H,8-10,12H2,1-2H3,(H2,21,24,27)/t14-/m1/s1.
What are the key properties of 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-[(1R)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]urea?
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-[(1R)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]urea has a molecular weight of 380.45 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-[(1R)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]urea is sourced from PubChem (CID 97433882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).