N-[2-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]phenyl]-2-chloroacetamide

C18H15ClN2O2 — CID 134844812

IUPACN-[2-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]phenyl]-2-chloroacetamide
SMILESO=C(CCl)Nc1ccccc1C1=N[C@@H]2c3ccccc3C[C@@H]2O1
InChIInChI=1S/C18H15ClN2O2/c19-10-16(22)20-14-8-4-3-7-13(14)18-21-17-12-6-2-1-5-11(12)9-15(17)23-18/h1-8,15,17H,9-10H2,(H,20,22)/t15-,17+/m0/s1
InChIKeyDTZSHGANOWIJAV-DOTOQJQBSA-N
MW326.78 g/mol
LogP3.31
Rot. Bonds3

About N-[2-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]phenyl]-2-chloroacetamide

N-[2-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]phenyl]-2-chloroacetamide (PubChem CID 134844812) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-[2-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]phenyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[2-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]phenyl]-2-chloroacetamide
PubChem CID134844812
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-[2-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]phenyl]-2-chloroacetamide
SMILESO=C(CCl)Nc1ccccc1C1=N[C@@H]2c3ccccc3C[C@@H]2O1
InChIInChI=1S/C18H15ClN2O2/c19-10-16(22)20-14-8-4-3-7-13(14)18-21-17-12-6-2-1-5-11(12)9-15(17)23-18/h1-8,15,17H,9-10H2,(H,20,22)/t15-,17+/m0/s1
InChIKeyDTZSHGANOWIJAV-DOTOQJQBSA-N
XLogP3.31
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3aR,8bS)-2-[2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]phenyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 10949221
(3aR,8bS)-2-[5-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]acridin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 170899191
2-(trichloromethyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 164678493
N-[2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]phenyl]-2-[(2-tert-butylphenyl)iminomethyl]aniline
CID 170907153
2-chloro-N-(2-phenylphenyl)acetamide
CID 1129350
(3aS,8bR)-2-bromo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 24767136
2-[1-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclopropyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 134939542
2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]acetonitrile
CID 15782541
2-chloro-N-[2-(4-phenylphenyl)phenyl]acetamide
CID 175267400
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl] 2-methylprop-2-enoate
CID 102221770
(3aR,8bS)-2-(4-phenyl-2-pyridinyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 138979737

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]phenyl]-2-chloroacetamide?
The IUPAC name of N-[2-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]phenyl]-2-chloroacetamide (CID 134844812) is N-[2-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]phenyl]-2-chloroacetamide.
What is the SMILES notation for N-[2-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]phenyl]-2-chloroacetamide?
The canonical SMILES for N-[2-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]phenyl]-2-chloroacetamide is O=C(CCl)Nc1ccccc1C1=N[C@@H]2c3ccccc3C[C@@H]2O1.
What is the InChIKey of N-[2-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]phenyl]-2-chloroacetamide?
The InChIKey is DTZSHGANOWIJAV-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-10-16(22)20-14-8-4-3-7-13(14)18-21-17-12-6-2-1-5-11(12)9-15(17)23-18/h1-8,15,17H,9-10H2,(H,20,22)/t15-,17+/m0/s1.
What are the key properties of N-[2-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]phenyl]-2-chloroacetamide?
N-[2-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]phenyl]-2-chloroacetamide has a molecular weight of 326.78 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]phenyl]-2-chloroacetamide is sourced from PubChem (CID 134844812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).