1-[cyclopropylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol

C24H35N3O4 — CID 46028409

IUPAC1-[cyclopropylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)CC1CC1
InChIInChI=1S/C24H35N3O4/c1-18(2)30-17-21(28)15-26(14-19-8-9-19)16-22-23(20-6-4-3-5-7-20)25-31-24(22)27-10-12-29-13-11-27/h3-7,18-19,21,28H,8-17H2,1-2H3
InChIKeyJEXXZOIWXCDSJT-UHFFFAOYSA-N
MW429.56 g/mol
LogP3.18
Rot. Bonds11

About 1-[cyclopropylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol

1-[cyclopropylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 46028409) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is 1-[cyclopropylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[cyclopropylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol
PubChem CID46028409
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC Name1-[cyclopropylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)CC1CC1
InChIInChI=1S/C24H35N3O4/c1-18(2)30-17-21(28)15-26(14-19-8-9-19)16-22-23(20-6-4-3-5-7-20)25-31-24(22)27-10-12-29-13-11-27/h3-7,18-19,21,28H,8-17H2,1-2H3
InChIKeyJEXXZOIWXCDSJT-UHFFFAOYSA-N
XLogP3.18
TPSA71.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[cyclopropylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol (CID 46028409) is 1-[cyclopropylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[cyclopropylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[cyclopropylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)CC1CC1.
What is the InChIKey of 1-[cyclopropylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is JEXXZOIWXCDSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-18(2)30-17-21(28)15-26(14-19-8-9-19)16-22-23(20-6-4-3-5-7-20)25-31-24(22)27-10-12-29-13-11-27/h3-7,18-19,21,28H,8-17H2,1-2H3.
What are the key properties of 1-[cyclopropylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
1-[cyclopropylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 429.56 g/mol, XLogP of 3.18, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 46028409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).