N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

C15H15ClN2O3 — CID 114302101

IUPACN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NC2c3ccccc3CC2Cl)no1
InChIInChI=1S/C15H15ClN2O3/c1-20-8-10-7-13(18-21-10)15(19)17-14-11-5-3-2-4-9(11)6-12(14)16/h2-5,7,12,14H,6,8H2,1H3,(H,17,19)
InChIKeyHMSGAMDKXFSKRD-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.46
Rot. Bonds4

About N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 114302101) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID114302101
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NC2c3ccccc3CC2Cl)no1
InChIInChI=1S/C15H15ClN2O3/c1-20-8-10-7-13(18-21-10)15(19)17-14-11-5-3-2-4-9(11)6-12(14)16/h2-5,7,12,14H,6,8H2,1H3,(H,17,19)
InChIKeyHMSGAMDKXFSKRD-UHFFFAOYSA-N
XLogP2.46
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139750983
4-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 114982975
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylpyridine-3-carboxamide
CID 114302241
5-(methoxymethyl)-N-(2-phenoxycyclohexyl)-1,2-oxazole-3-carboxamide
CID 75374447
2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide
CID 114302135
5-cyclopropyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide
CID 61368931
5-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 82874519
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide
CID 114302037
3-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide
CID 114302102
N-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66158532
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide
CID 114302198
N-[4-(ethylamino)cyclohexyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66155543

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (CID 114302101) is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)NC2c3ccccc3CC2Cl)no1.
What is the InChIKey of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HMSGAMDKXFSKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-20-8-10-7-13(18-21-10)15(19)17-14-11-5-3-2-4-9(11)6-12(14)16/h2-5,7,12,14H,6,8H2,1H3,(H,17,19).
What are the key properties of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 114302101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).