(4-chlorophenyl)methyl N-[4-[(1S)-1-[(5-methyl-1,3-oxazole-2-carbonyl)amino]ethyl]phenyl]carbamate

C21H20ClN3O4 — CID 171824006

IUPAC(4-chlorophenyl)methyl N-[4-[(1S)-1-[(5-methyl-1,3-oxazole-2-carbonyl)amino]ethyl]phenyl]carbamate
SMILESCc1cnc(C(=O)N[C@@H](C)c2ccc(NC(=O)OCc3ccc(Cl)cc3)cc2)o1
InChIInChI=1S/C21H20ClN3O4/c1-13-11-23-20(29-13)19(26)24-14(2)16-5-9-18(10-6-16)25-21(27)28-12-15-3-7-17(22)8-4-15/h3-11,14H,12H2,1-2H3,(H,24,26)(H,25,27)/t14-/m0/s1
InChIKeyUPTUCUAZSNGNLZ-AWEZNQCLSA-N
MW413.86 g/mol
LogP4.88
Rot. Bonds6

About (4-chlorophenyl)methyl N-[4-[(1S)-1-[(5-methyl-1,3-oxazole-2-carbonyl)amino]ethyl]phenyl]carbamate

(4-chlorophenyl)methyl N-[4-[(1S)-1-[(5-methyl-1,3-oxazole-2-carbonyl)amino]ethyl]phenyl]carbamate (PubChem CID 171824006) has the molecular formula C21H20ClN3O4 and a molecular weight of 413.86 g/mol. Its IUPAC name is (4-chlorophenyl)methyl N-[4-[(1S)-1-[(5-methyl-1,3-oxazole-2-carbonyl)amino]ethyl]phenyl]carbamate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl N-[4-[(1S)-1-[(5-methyl-1,3-oxazole-2-carbonyl)amino]ethyl]phenyl]carbamate
PubChem CID171824006
Molecular FormulaC21H20ClN3O4
Molecular Weight413.86 g/mol
Exact Mass413.11
IUPAC Name(4-chlorophenyl)methyl N-[4-[(1S)-1-[(5-methyl-1,3-oxazole-2-carbonyl)amino]ethyl]phenyl]carbamate
SMILESCc1cnc(C(=O)N[C@@H](C)c2ccc(NC(=O)OCc3ccc(Cl)cc3)cc2)o1
InChIInChI=1S/C21H20ClN3O4/c1-13-11-23-20(29-13)19(26)24-14(2)16-5-9-18(10-6-16)25-21(27)28-12-15-3-7-17(22)8-4-15/h3-11,14H,12H2,1-2H3,(H,24,26)(H,25,27)/t14-/m0/s1
InChIKeyUPTUCUAZSNGNLZ-AWEZNQCLSA-N
XLogP4.88
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.86
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-chlorophenyl)methyl N-[4-[(1S)-1-[(5-methyl-1,3-oxazole-2-carbonyl)amino]ethyl]phenyl]carbamate with MolForge

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Related Compounds

(4-chlorophenyl)methyl N-[4-[1-[[3-(difluoromethyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]carbamate
CID 171824562
(4-methylphenyl)methyl N-[4-[(1S)-1-[[6-(difluoromethyl)pyridine-3-carbonyl]amino]ethyl]phenyl]carbamate;molecular hydrogen
CID 171824634
(4-chlorophenyl)methyl N-[4-[[(2-methylpyrimidine-5-carbonyl)amino]methyl]phenyl]carbamate
CID 171824141
(4-chlorophenyl)methyl N-[4-[[methyl-(2-methyl-1,3-oxazole-5-carbonyl)amino]methyl]phenyl]carbamate
CID 171824417
methyl N-[4-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate
CID 60522763
(4-chlorophenyl)methyl N-[4-(pyridin-2-ylmethyl)phenyl]carbamate
CID 171824793
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8623654
(1-methylpyridin-1-ium-4-yl)methyl N-(4-chlorophenyl)carbamate iodide
CID 163342725
(4-chlorophenyl)methyl N-[4-[[(3,4-dimethyl-1,2-oxazole-5-carbonyl)amino]methyl]phenyl]carbamate
CID 171824672
5-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]furan-2-carboxamide
CID 81354268
(4-chlorophenyl)methyl N-[4-[[methyl-(6-methylpyridine-3-carbonyl)amino]methyl]phenyl]carbamate
CID 171824839
benzyl N-[(2S)-1-[1-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55929771

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl N-[4-[(1S)-1-[(5-methyl-1,3-oxazole-2-carbonyl)amino]ethyl]phenyl]carbamate?
The IUPAC name of (4-chlorophenyl)methyl N-[4-[(1S)-1-[(5-methyl-1,3-oxazole-2-carbonyl)amino]ethyl]phenyl]carbamate (CID 171824006) is (4-chlorophenyl)methyl N-[4-[(1S)-1-[(5-methyl-1,3-oxazole-2-carbonyl)amino]ethyl]phenyl]carbamate.
What is the SMILES notation for (4-chlorophenyl)methyl N-[4-[(1S)-1-[(5-methyl-1,3-oxazole-2-carbonyl)amino]ethyl]phenyl]carbamate?
The canonical SMILES for (4-chlorophenyl)methyl N-[4-[(1S)-1-[(5-methyl-1,3-oxazole-2-carbonyl)amino]ethyl]phenyl]carbamate is Cc1cnc(C(=O)N[C@@H](C)c2ccc(NC(=O)OCc3ccc(Cl)cc3)cc2)o1.
What is the InChIKey of (4-chlorophenyl)methyl N-[4-[(1S)-1-[(5-methyl-1,3-oxazole-2-carbonyl)amino]ethyl]phenyl]carbamate?
The InChIKey is UPTUCUAZSNGNLZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20ClN3O4/c1-13-11-23-20(29-13)19(26)24-14(2)16-5-9-18(10-6-16)25-21(27)28-12-15-3-7-17(22)8-4-15/h3-11,14H,12H2,1-2H3,(H,24,26)(H,25,27)/t14-/m0/s1.
What are the key properties of (4-chlorophenyl)methyl N-[4-[(1S)-1-[(5-methyl-1,3-oxazole-2-carbonyl)amino]ethyl]phenyl]carbamate?
(4-chlorophenyl)methyl N-[4-[(1S)-1-[(5-methyl-1,3-oxazole-2-carbonyl)amino]ethyl]phenyl]carbamate has a molecular weight of 413.86 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl N-[4-[(1S)-1-[(5-methyl-1,3-oxazole-2-carbonyl)amino]ethyl]phenyl]carbamate is sourced from PubChem (CID 171824006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).