N-[(1R,3R)-3-cyclopropylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide

C18H28N4O2 — CID 95967566

IUPACN-[(1R,3R)-3-cyclopropylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H](C2CC2)C1)N1CCN(Cc2ccon2)CC1
InChIInChI=1S/C18H28N4O2/c23-18(19-16-3-1-2-15(12-16)14-4-5-14)22-9-7-21(8-10-22)13-17-6-11-24-20-17/h6,11,14-16H,1-5,7-10,12-13H2,(H,19,23)/t15-,16-/m1/s1
InChIKeyFBEYBSUBIHLMQW-HZPDHXFCSA-N
MW332.45 g/mol
LogP2.47
Rot. Bonds4

About N-[(1R,3R)-3-cyclopropylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide

N-[(1R,3R)-3-cyclopropylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 95967566) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[(1R,3R)-3-cyclopropylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-cyclopropylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
PubChem CID95967566
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[(1R,3R)-3-cyclopropylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H](C2CC2)C1)N1CCN(Cc2ccon2)CC1
InChIInChI=1S/C18H28N4O2/c23-18(19-16-3-1-2-15(12-16)14-4-5-14)22-9-7-21(8-10-22)13-17-6-11-24-20-17/h6,11,14-16H,1-5,7-10,12-13H2,(H,19,23)/t15-,16-/m1/s1
InChIKeyFBEYBSUBIHLMQW-HZPDHXFCSA-N
XLogP2.47
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,3R)-3-cyclopropylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide with MolForge

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Related Compounds

N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71989959
4-(1,2-oxazol-3-ylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide
CID 95907905
N-[(1S,2R)-2-methylsulfanylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 97318816
[(1R,2S)-2-aminocyclopentyl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone
CID 124699056
(2-methyloxan-3-yl)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone
CID 129000667
(2S)-N-[(1R,3S)-3-cyclopropylcyclohexyl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide
CID 97068623
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71990274
N-[(3-methyl-2-pyridinyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71868323
4-(1,2-oxazol-3-ylmethyl)-N-(4-prop-2-ynoxyphenyl)piperazine-1-carboxamide
CID 71992266
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylcarbamoyl)piperidine-4-carboxylic acid
CID 122003861
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-methylsulfonylpiperidin-3-yl)piperazine-1-carboxamide
CID 47765427
N-cyclopentyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 38204358

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-cyclopropylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(1R,3R)-3-cyclopropylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide (CID 95967566) is N-[(1R,3R)-3-cyclopropylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-cyclopropylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-cyclopropylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide is O=C(N[C@@H]1CCC[C@@H](C2CC2)C1)N1CCN(Cc2ccon2)CC1.
What is the InChIKey of N-[(1R,3R)-3-cyclopropylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is FBEYBSUBIHLMQW-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H28N4O2/c23-18(19-16-3-1-2-15(12-16)14-4-5-14)22-9-7-21(8-10-22)13-17-6-11-24-20-17/h6,11,14-16H,1-5,7-10,12-13H2,(H,19,23)/t15-,16-/m1/s1.
What are the key properties of N-[(1R,3R)-3-cyclopropylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
N-[(1R,3R)-3-cyclopropylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-cyclopropylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 95967566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).