1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea

C17H29N5O2 — CID 28960918

IUPAC1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
SMILESCC(C)c1noc([C@@H]2C[C@H](NC(=O)NC3CCCCC3)CN2C)n1
InChIInChI=1S/C17H29N5O2/c1-11(2)15-20-16(24-21-15)14-9-13(10-22(14)3)19-17(23)18-12-7-5-4-6-8-12/h11-14H,4-10H2,1-3H3,(H2,18,19,23)/t13-,14-/m0/s1
InChIKeyFJNJHTYUGGNKDA-KBPBESRZSA-N
MW335.45 g/mol
LogP2.57
Rot. Bonds4

About 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea

1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea (PubChem CID 28960918) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
PubChem CID28960918
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
SMILESCC(C)c1noc([C@@H]2C[C@H](NC(=O)NC3CCCCC3)CN2C)n1
InChIInChI=1S/C17H29N5O2/c1-11(2)15-20-16(24-21-15)14-9-13(10-22(14)3)19-17(23)18-12-7-5-4-6-8-12/h11-14H,4-10H2,1-3H3,(H2,18,19,23)/t13-,14-/m0/s1
InChIKeyFJNJHTYUGGNKDA-KBPBESRZSA-N
XLogP2.57
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-3-[1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
CID 74577549
1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
CID 28960641
N-cyclohexyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121098776
N-cyclopentyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 70772545
1-[1-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]-3-propan-2-ylurea
CID 74442714
1-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea
CID 74577512
1-[1-methyl-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]-3-propan-2-ylurea
CID 74577413
4-piperidin-1-yl-1-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 97197902
2-(methylamino)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 56862607
N-tert-butyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121098775
N-methyl-3-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 91838252
N-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-4-phenylbenzamide
CID 28960954

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea (CID 28960918) is 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea is CC(C)c1noc([C@@H]2C[C@H](NC(=O)NC3CCCCC3)CN2C)n1.
What is the InChIKey of 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea?
The InChIKey is FJNJHTYUGGNKDA-KBPBESRZSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-11(2)15-20-16(24-21-15)14-9-13(10-22(14)3)19-17(23)18-12-7-5-4-6-8-12/h11-14H,4-10H2,1-3H3,(H2,18,19,23)/t13-,14-/m0/s1.
What are the key properties of 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea?
1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea has a molecular weight of 335.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 28960918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).