[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate

C24H33N3O4 — CID 167131334

IUPAC[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate
SMILESCc1nc(-c2onc(C)c2COC(=O)N(C)CC2CCC2)ccc1OC1CCCCC1
InChIInChI=1S/C24H33N3O4/c1-16-20(15-29-24(28)27(3)14-18-8-7-9-18)23(31-26-16)21-12-13-22(17(2)25-21)30-19-10-5-4-6-11-19/h12-13,18-19H,4-11,14-15H2,1-3H3
InChIKeyFFZSUDHKCQIKSZ-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.43
Rot. Bonds7

About [5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate

[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate (PubChem CID 167131334) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is [5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate.

Molecular Properties

Compound Name[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate
PubChem CID167131334
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate
SMILESCc1nc(-c2onc(C)c2COC(=O)N(C)CC2CCC2)ccc1OC1CCCCC1
InChIInChI=1S/C24H33N3O4/c1-16-20(15-29-24(28)27(3)14-18-8-7-9-18)23(31-26-16)21-12-13-22(17(2)25-21)30-19-10-5-4-6-11-19/h12-13,18-19H,4-11,14-15H2,1-3H3
InChIKeyFFZSUDHKCQIKSZ-UHFFFAOYSA-N
XLogP5.43
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate?
The IUPAC name of [5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate (CID 167131334) is [5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate.
What is the SMILES notation for [5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate?
The canonical SMILES for [5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate is Cc1nc(-c2onc(C)c2COC(=O)N(C)CC2CCC2)ccc1OC1CCCCC1.
What is the InChIKey of [5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate?
The InChIKey is FFZSUDHKCQIKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-16-20(15-29-24(28)27(3)14-18-8-7-9-18)23(31-26-16)21-12-13-22(17(2)25-21)30-19-10-5-4-6-11-19/h12-13,18-19H,4-11,14-15H2,1-3H3.
What are the key properties of [5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate?
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate has a molecular weight of 427.55 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate is sourced from PubChem (CID 167131334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).