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

C26H33N3O6 — CID 11663056

IUPAC[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(1S)-2-(1,3-benzoxazol-2-yl)-1-cyclopropyl-2-oxoethyl]carbamate
SMILESO=C(N[C@H](C(=O)c1nc2ccccc2o1)C1CC1)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
InChIInChI=1S/C26H33N3O6/c30-23(24-27-19-8-4-5-9-20(19)34-24)22(18-10-11-18)28-26(32)35-21(16-17-6-2-1-3-7-17)25(31)29-12-14-33-15-13-29/h4-5,8-9,17-18,21-22H,1-3,6-7,10-16H2,(H,28,32)/t21-,22-/m0/s1
InChIKeyGFZWDNVNLZTLEQ-VXKWHMMOSA-N
MW483.57 g/mol
LogP3.71
Rot. Bonds8

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

[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(1S)-2-(1,3-benzoxazol-2-yl)-1-cyclopropyl-2-oxoethyl]carbamate (PubChem CID 11663056) has the molecular formula C26H33N3O6 and a molecular weight of 483.57 g/mol. Its IUPAC name is [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(1S)-2-(1,3-benzoxazol-2-yl)-1-cyclopropyl-2-oxoethyl]carbamate.

Molecular Properties

Compound Name[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(1S)-2-(1,3-benzoxazol-2-yl)-1-cyclopropyl-2-oxoethyl]carbamate
PubChem CID11663056
Molecular FormulaC26H33N3O6
Molecular Weight483.57 g/mol
Exact Mass483.24
IUPAC Name[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(1S)-2-(1,3-benzoxazol-2-yl)-1-cyclopropyl-2-oxoethyl]carbamate
SMILESO=C(N[C@H](C(=O)c1nc2ccccc2o1)C1CC1)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
InChIInChI=1S/C26H33N3O6/c30-23(24-27-19-8-4-5-9-20(19)34-24)22(18-10-11-18)28-26(32)35-21(16-17-6-2-1-3-7-17)25(31)29-12-14-33-15-13-29/h4-5,8-9,17-18,21-22H,1-3,6-7,10-16H2,(H,28,32)/t21-,22-/m0/s1
InChIKeyGFZWDNVNLZTLEQ-VXKWHMMOSA-N
XLogP3.71
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(1S)-2-(1,3-benzoxazol-2-yl)-1-cyclopropyl-2-oxoethyl]carbamate?
The IUPAC name of [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(1S)-2-(1,3-benzoxazol-2-yl)-1-cyclopropyl-2-oxoethyl]carbamate (CID 11663056) is [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(1S)-2-(1,3-benzoxazol-2-yl)-1-cyclopropyl-2-oxoethyl]carbamate.
What is the SMILES notation for [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(1S)-2-(1,3-benzoxazol-2-yl)-1-cyclopropyl-2-oxoethyl]carbamate?
The canonical SMILES for [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(1S)-2-(1,3-benzoxazol-2-yl)-1-cyclopropyl-2-oxoethyl]carbamate is O=C(N[C@H](C(=O)c1nc2ccccc2o1)C1CC1)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1.
What is the InChIKey of [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(1S)-2-(1,3-benzoxazol-2-yl)-1-cyclopropyl-2-oxoethyl]carbamate?
The InChIKey is GFZWDNVNLZTLEQ-VXKWHMMOSA-N. The full InChI is InChI=1S/C26H33N3O6/c30-23(24-27-19-8-4-5-9-20(19)34-24)22(18-10-11-18)28-26(32)35-21(16-17-6-2-1-3-7-17)25(31)29-12-14-33-15-13-29/h4-5,8-9,17-18,21-22H,1-3,6-7,10-16H2,(H,28,32)/t21-,22-/m0/s1.
What are the key properties of [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(1S)-2-(1,3-benzoxazol-2-yl)-1-cyclopropyl-2-oxoethyl]carbamate?
[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(1S)-2-(1,3-benzoxazol-2-yl)-1-cyclopropyl-2-oxoethyl]carbamate has a molecular weight of 483.57 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(1S)-2-(1,3-benzoxazol-2-yl)-1-cyclopropyl-2-oxoethyl]carbamate is sourced from PubChem (CID 11663056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).