(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[1-(1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate

C24H31N3O6 — CID 67301124

IUPAC(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[1-(1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(CC1CCCCC1)C(=O)N1CCOCC1)C(=O)c1nc2ccccc2o1
InChIInChI=1S/C24H31N3O6/c1-16(21(28)22-26-18-9-5-6-10-19(18)32-22)25-24(30)33-20(15-17-7-3-2-4-8-17)23(29)27-11-13-31-14-12-27/h5-6,9-10,16-17,20H,2-4,7-8,11-15H2,1H3,(H,25,30)
InChIKeyYEMXHRPEHMDPDD-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.32
Rot. Bonds7

About (3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[1-(1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate

(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[1-(1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 67301124) has the molecular formula C24H31N3O6 and a molecular weight of 457.53 g/mol. Its IUPAC name is (3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[1-(1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Name(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[1-(1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate
PubChem CID67301124
Molecular FormulaC24H31N3O6
Molecular Weight457.53 g/mol
Exact Mass457.22
IUPAC Name(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[1-(1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(CC1CCCCC1)C(=O)N1CCOCC1)C(=O)c1nc2ccccc2o1
InChIInChI=1S/C24H31N3O6/c1-16(21(28)22-26-18-9-5-6-10-19(18)32-22)25-24(30)33-20(15-17-7-3-2-4-8-17)23(29)27-11-13-31-14-12-27/h5-6,9-10,16-17,20H,2-4,7-8,11-15H2,1H3,(H,25,30)
InChIKeyYEMXHRPEHMDPDD-UHFFFAOYSA-N
XLogP3.32
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[1-(1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[1-(1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of (3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[1-(1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate (CID 67301124) is (3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[1-(1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for (3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[1-(1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for (3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[1-(1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate is CC(NC(=O)OC(CC1CCCCC1)C(=O)N1CCOCC1)C(=O)c1nc2ccccc2o1.
What is the InChIKey of (3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[1-(1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate?
The InChIKey is YEMXHRPEHMDPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O6/c1-16(21(28)22-26-18-9-5-6-10-19(18)32-22)25-24(30)33-20(15-17-7-3-2-4-8-17)23(29)27-11-13-31-14-12-27/h5-6,9-10,16-17,20H,2-4,7-8,11-15H2,1H3,(H,25,30).
What are the key properties of (3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[1-(1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate?
(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[1-(1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 457.53 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[1-(1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 67301124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).