N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-4-ethyl-1,3-oxazole-5-carboxamide

C15H14Cl2N2O2 — CID 138017043

IUPACN-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-4-ethyl-1,3-oxazole-5-carboxamide
SMILESCCc1ncoc1C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-2-12-14(21-7-18-12)15(20)19-13-6-10(13)9-4-3-8(16)5-11(9)17/h3-5,7,10,13H,2,6H2,1H3,(H,19,20)/t10-,13+/m0/s1
InChIKeyBNRNLVUFNHNOKW-GXFFZTMASA-N
MW325.20 g/mol
LogP3.83
Rot. Bonds4

About N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-4-ethyl-1,3-oxazole-5-carboxamide

N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-4-ethyl-1,3-oxazole-5-carboxamide (PubChem CID 138017043) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-4-ethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-4-ethyl-1,3-oxazole-5-carboxamide
PubChem CID138017043
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC NameN-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-4-ethyl-1,3-oxazole-5-carboxamide
SMILESCCc1ncoc1C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-2-12-14(21-7-18-12)15(20)19-13-6-10(13)9-4-3-8(16)5-11(9)17/h3-5,7,10,13H,2,6H2,1H3,(H,19,20)/t10-,13+/m0/s1
InChIKeyBNRNLVUFNHNOKW-GXFFZTMASA-N
XLogP3.83
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-4-ethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-4-ethyl-1,3-oxazole-5-carboxamide (CID 138017043) is N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-4-ethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-4-ethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-4-ethyl-1,3-oxazole-5-carboxamide is CCc1ncoc1C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-4-ethyl-1,3-oxazole-5-carboxamide?
The InChIKey is BNRNLVUFNHNOKW-GXFFZTMASA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-2-12-14(21-7-18-12)15(20)19-13-6-10(13)9-4-3-8(16)5-11(9)17/h3-5,7,10,13H,2,6H2,1H3,(H,19,20)/t10-,13+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-4-ethyl-1,3-oxazole-5-carboxamide?
N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-4-ethyl-1,3-oxazole-5-carboxamide has a molecular weight of 325.20 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-4-ethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 138017043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).