1-cyclohexyl-3-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]urea

C17H26N4O3 — CID 51092058

IUPAC1-cyclohexyl-3-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]urea
SMILESCc1cc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)on1
InChIInChI=1S/C17H26N4O3/c1-12-11-15(24-20-12)16(22)21-9-7-14(8-10-21)19-17(23)18-13-5-3-2-4-6-13/h11,13-14H,2-10H2,1H3,(H2,18,19,23)
InChIKeyGGPOAFHNPPPVEV-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.22
Rot. Bonds3

About 1-cyclohexyl-3-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]urea

1-cyclohexyl-3-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]urea (PubChem CID 51092058) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]urea
PubChem CID51092058
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1-cyclohexyl-3-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]urea
SMILESCc1cc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)on1
InChIInChI=1S/C17H26N4O3/c1-12-11-15(24-20-12)16(22)21-9-7-14(8-10-21)19-17(23)18-13-5-3-2-4-6-13/h11,13-14H,2-10H2,1H3,(H2,18,19,23)
InChIKeyGGPOAFHNPPPVEV-UHFFFAOYSA-N
XLogP2.22
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47089070
[4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride
CID 119423963
[4-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 63596014
N-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184528
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate
CID 78904854
(4-hydroxy-4-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 80707380
(3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 63392780
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 47296940
3-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 94797390
3-methyl-N-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexyl]-1,2-oxazole-5-carboxamide
CID 127423482
[(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 129344923

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]urea (CID 51092058) is 1-cyclohexyl-3-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]urea is Cc1cc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)on1.
What is the InChIKey of 1-cyclohexyl-3-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]urea?
The InChIKey is GGPOAFHNPPPVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12-11-15(24-20-12)16(22)21-9-7-14(8-10-21)19-17(23)18-13-5-3-2-4-6-13/h11,13-14H,2-10H2,1H3,(H2,18,19,23).
What are the key properties of 1-cyclohexyl-3-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]urea?
1-cyclohexyl-3-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]urea has a molecular weight of 334.42 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]urea is sourced from PubChem (CID 51092058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).