1,3-oxazol-5-ylmethyl N-[4-[(1S)-1-[(4-fluorobenzoyl)amino]ethyl]phenyl]carbamate

C20H18FN3O4 — CID 171824082

IUPAC1,3-oxazol-5-ylmethyl N-[4-[(1S)-1-[(4-fluorobenzoyl)amino]ethyl]phenyl]carbamate
SMILESC[C@H](NC(=O)c1ccc(F)cc1)c1ccc(NC(=O)OCc2cnco2)cc1
InChIInChI=1S/C20H18FN3O4/c1-13(23-19(25)15-2-6-16(21)7-3-15)14-4-8-17(9-5-14)24-20(26)27-11-18-10-22-12-28-18/h2-10,12-13H,11H2,1H3,(H,23,25)(H,24,26)/t13-/m0/s1
InChIKeyDSLOJRMKDZHDFB-ZDUSSCGKSA-N
MW383.38 g/mol
LogP4.05
Rot. Bonds6

About 1,3-oxazol-5-ylmethyl N-[4-[(1S)-1-[(4-fluorobenzoyl)amino]ethyl]phenyl]carbamate

1,3-oxazol-5-ylmethyl N-[4-[(1S)-1-[(4-fluorobenzoyl)amino]ethyl]phenyl]carbamate (PubChem CID 171824082) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is 1,3-oxazol-5-ylmethyl N-[4-[(1S)-1-[(4-fluorobenzoyl)amino]ethyl]phenyl]carbamate.

Molecular Properties

Compound Name1,3-oxazol-5-ylmethyl N-[4-[(1S)-1-[(4-fluorobenzoyl)amino]ethyl]phenyl]carbamate
PubChem CID171824082
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC Name1,3-oxazol-5-ylmethyl N-[4-[(1S)-1-[(4-fluorobenzoyl)amino]ethyl]phenyl]carbamate
SMILESC[C@H](NC(=O)c1ccc(F)cc1)c1ccc(NC(=O)OCc2cnco2)cc1
InChIInChI=1S/C20H18FN3O4/c1-13(23-19(25)15-2-6-16(21)7-3-15)14-4-8-17(9-5-14)24-20(26)27-11-18-10-22-12-28-18/h2-10,12-13H,11H2,1H3,(H,23,25)(H,24,26)/t13-/m0/s1
InChIKeyDSLOJRMKDZHDFB-ZDUSSCGKSA-N
XLogP4.05
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-5-ylmethyl N-[4-[(1S)-1-[(4-fluorobenzoyl)amino]ethyl]phenyl]carbamate?
The IUPAC name of 1,3-oxazol-5-ylmethyl N-[4-[(1S)-1-[(4-fluorobenzoyl)amino]ethyl]phenyl]carbamate (CID 171824082) is 1,3-oxazol-5-ylmethyl N-[4-[(1S)-1-[(4-fluorobenzoyl)amino]ethyl]phenyl]carbamate.
What is the SMILES notation for 1,3-oxazol-5-ylmethyl N-[4-[(1S)-1-[(4-fluorobenzoyl)amino]ethyl]phenyl]carbamate?
The canonical SMILES for 1,3-oxazol-5-ylmethyl N-[4-[(1S)-1-[(4-fluorobenzoyl)amino]ethyl]phenyl]carbamate is C[C@H](NC(=O)c1ccc(F)cc1)c1ccc(NC(=O)OCc2cnco2)cc1.
What is the InChIKey of 1,3-oxazol-5-ylmethyl N-[4-[(1S)-1-[(4-fluorobenzoyl)amino]ethyl]phenyl]carbamate?
The InChIKey is DSLOJRMKDZHDFB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18FN3O4/c1-13(23-19(25)15-2-6-16(21)7-3-15)14-4-8-17(9-5-14)24-20(26)27-11-18-10-22-12-28-18/h2-10,12-13H,11H2,1H3,(H,23,25)(H,24,26)/t13-/m0/s1.
What are the key properties of 1,3-oxazol-5-ylmethyl N-[4-[(1S)-1-[(4-fluorobenzoyl)amino]ethyl]phenyl]carbamate?
1,3-oxazol-5-ylmethyl N-[4-[(1S)-1-[(4-fluorobenzoyl)amino]ethyl]phenyl]carbamate has a molecular weight of 383.38 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-5-ylmethyl N-[4-[(1S)-1-[(4-fluorobenzoyl)amino]ethyl]phenyl]carbamate is sourced from PubChem (CID 171824082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).