N-[2-[5-cyclopropyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-1-yl]ethyl]-3-methoxycyclohexane-1-carboxamide

C20H28N4O3 — CID 110238814

IUPACN-[2-[5-cyclopropyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-1-yl]ethyl]-3-methoxycyclohexane-1-carboxamide
SMILESCOC1CCCC(C(=O)NCCn2ncc(-c3cc(C)no3)c2C2CC2)C1
InChIInChI=1S/C20H28N4O3/c1-13-10-18(27-23-13)17-12-22-24(19(17)14-6-7-14)9-8-21-20(25)15-4-3-5-16(11-15)26-2/h10,12,14-16H,3-9,11H2,1-2H3,(H,21,25)
InChIKeyNXSCHOSHSALWQT-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.05
Rot. Bonds7

About N-[2-[5-cyclopropyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-1-yl]ethyl]-3-methoxycyclohexane-1-carboxamide

N-[2-[5-cyclopropyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-1-yl]ethyl]-3-methoxycyclohexane-1-carboxamide (PubChem CID 110238814) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-[5-cyclopropyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-1-yl]ethyl]-3-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[5-cyclopropyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-1-yl]ethyl]-3-methoxycyclohexane-1-carboxamide
PubChem CID110238814
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[2-[5-cyclopropyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-1-yl]ethyl]-3-methoxycyclohexane-1-carboxamide
SMILESCOC1CCCC(C(=O)NCCn2ncc(-c3cc(C)no3)c2C2CC2)C1
InChIInChI=1S/C20H28N4O3/c1-13-10-18(27-23-13)17-12-22-24(19(17)14-6-7-14)9-8-21-20(25)15-4-3-5-16(11-15)26-2/h10,12,14-16H,3-9,11H2,1-2H3,(H,21,25)
InChIKeyNXSCHOSHSALWQT-UHFFFAOYSA-N
XLogP3.05
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-cyclopropyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-1-yl]ethyl]-3-methoxycyclohexane-1-carboxamide?
The IUPAC name of N-[2-[5-cyclopropyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-1-yl]ethyl]-3-methoxycyclohexane-1-carboxamide (CID 110238814) is N-[2-[5-cyclopropyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-1-yl]ethyl]-3-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-[5-cyclopropyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-1-yl]ethyl]-3-methoxycyclohexane-1-carboxamide?
The canonical SMILES for N-[2-[5-cyclopropyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-1-yl]ethyl]-3-methoxycyclohexane-1-carboxamide is COC1CCCC(C(=O)NCCn2ncc(-c3cc(C)no3)c2C2CC2)C1.
What is the InChIKey of N-[2-[5-cyclopropyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-1-yl]ethyl]-3-methoxycyclohexane-1-carboxamide?
The InChIKey is NXSCHOSHSALWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-13-10-18(27-23-13)17-12-22-24(19(17)14-6-7-14)9-8-21-20(25)15-4-3-5-16(11-15)26-2/h10,12,14-16H,3-9,11H2,1-2H3,(H,21,25).
What are the key properties of N-[2-[5-cyclopropyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-1-yl]ethyl]-3-methoxycyclohexane-1-carboxamide?
N-[2-[5-cyclopropyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-1-yl]ethyl]-3-methoxycyclohexane-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-cyclopropyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-1-yl]ethyl]-3-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 110238814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).