1H-benzimidazol-2-yl N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate

C19H19N5O3 — CID 118413111

IUPAC1H-benzimidazol-2-yl N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate
SMILESNC1=N[C@@H](CCc2ccc(NC(=O)Oc3nc4ccccc4[nH]3)cc2)CO1
InChIInChI=1S/C19H19N5O3/c20-17-21-14(11-26-17)10-7-12-5-8-13(9-6-12)22-19(25)27-18-23-15-3-1-2-4-16(15)24-18/h1-6,8-9,14H,7,10-11H2,(H2,20,21)(H,22,25)(H,23,24)/t14-/m0/s1
InChIKeyIIBGKFKJJOCYGW-AWEZNQCLSA-N
MW365.39 g/mol
LogP2.82
Rot. Bonds5

About 1H-benzimidazol-2-yl N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate

1H-benzimidazol-2-yl N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate (PubChem CID 118413111) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate.

Molecular Properties

Compound Name1H-benzimidazol-2-yl N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate
PubChem CID118413111
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name1H-benzimidazol-2-yl N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate
SMILESNC1=N[C@@H](CCc2ccc(NC(=O)Oc3nc4ccccc4[nH]3)cc2)CO1
InChIInChI=1S/C19H19N5O3/c20-17-21-14(11-26-17)10-7-12-5-8-13(9-6-12)22-19(25)27-18-23-15-3-1-2-4-16(15)24-18/h1-6,8-9,14H,7,10-11H2,(H2,20,21)(H,22,25)(H,23,24)/t14-/m0/s1
InChIKeyIIBGKFKJJOCYGW-AWEZNQCLSA-N
XLogP2.82
TPSA114.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3-(4-fluorophenyl)urea
CID 53235413
(2-ethyl-6-methoxypyrimidin-4-yl) N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate
CID 118413070
1-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-3-(3,4-dichlorophenyl)urea
CID 67156315
N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-6-chloro-3-fluoropyridine-2-carboxamide
CID 76747740
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-(6-bromo-2-pyridinyl)-2,2-difluoroacetamide
CID 58256359
1H-benzimidazol-2-yl N-aminocarbamate
CID 174816484
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-(4-chlorophenyl)-2-methylpropanamide
CID 53234386
N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-6-propan-2-ylpyrazine-2-carboxamide
CID 67151616
1-[4-[4-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)butyl]phenyl]-3-(4-chlorophenyl)urea
CID 77233028
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-propan-2-ylpyrazine-2-carboxamide
CID 58256317
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-(dimethylamino)pyrazine-2-carboxamide
CID 58256429
4-[2-[4-[(5-chloro-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67501873

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate?
The IUPAC name of 1H-benzimidazol-2-yl N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate (CID 118413111) is 1H-benzimidazol-2-yl N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate.
What is the SMILES notation for 1H-benzimidazol-2-yl N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate?
The canonical SMILES for 1H-benzimidazol-2-yl N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate is NC1=N[C@@H](CCc2ccc(NC(=O)Oc3nc4ccccc4[nH]3)cc2)CO1.
What is the InChIKey of 1H-benzimidazol-2-yl N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate?
The InChIKey is IIBGKFKJJOCYGW-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N5O3/c20-17-21-14(11-26-17)10-7-12-5-8-13(9-6-12)22-19(25)27-18-23-15-3-1-2-4-16(15)24-18/h1-6,8-9,14H,7,10-11H2,(H2,20,21)(H,22,25)(H,23,24)/t14-/m0/s1.
What are the key properties of 1H-benzimidazol-2-yl N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate?
1H-benzimidazol-2-yl N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate has a molecular weight of 365.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate is sourced from PubChem (CID 118413111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).