6-(4-chlorophenyl)-N-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide

C17H18ClN3O2 — CID 122172511

IUPAC6-(4-chlorophenyl)-N-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
SMILESO=C(NCC1CC1)c1ncn2c1COC(c1ccc(Cl)cc1)C2
InChIInChI=1S/C17H18ClN3O2/c18-13-5-3-12(4-6-13)15-8-21-10-20-16(14(21)9-23-15)17(22)19-7-11-1-2-11/h3-6,10-11,15H,1-2,7-9H2,(H,19,22)
InChIKeyRNHYVPYHCNJLFA-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.95
Rot. Bonds4

About 6-(4-chlorophenyl)-N-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide

6-(4-chlorophenyl)-N-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (PubChem CID 122172511) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
PubChem CID122172511
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name6-(4-chlorophenyl)-N-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
SMILESO=C(NCC1CC1)c1ncn2c1COC(c1ccc(Cl)cc1)C2
InChIInChI=1S/C17H18ClN3O2/c18-13-5-3-12(4-6-13)15-8-21-10-20-16(14(21)9-23-15)17(22)19-7-11-1-2-11/h3-6,10-11,15H,1-2,7-9H2,(H,19,22)
InChIKeyRNHYVPYHCNJLFA-UHFFFAOYSA-N
XLogP2.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-chlorophenyl)-N-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide with MolForge

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Related Compounds

N-(cyclopropylmethyl)-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 125127777
1-[(6R)-6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 99744369
(6S)-N-[(2-bromophenyl)methyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125126419
N-(cyclohexylmethyl)-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744438
N-[(2-bromophenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 91894320
(6R)-N-[(2-bromophenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125125789
(6S)-6-(4-methoxyphenyl)-N-[(2S)-2-phenylpropyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125126799
6-(4-chlorophenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 91890861
(6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125126190
(6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125128987
(6R)-N-[(3-ethoxyphenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125127981
(6R)-N-(4-fluoro-3-methylphenyl)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125125757

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (CID 122172511) is 6-(4-chlorophenyl)-N-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is O=C(NCC1CC1)c1ncn2c1COC(c1ccc(Cl)cc1)C2.
What is the InChIKey of 6-(4-chlorophenyl)-N-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The InChIKey is RNHYVPYHCNJLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-13-5-3-12(4-6-13)15-8-21-10-20-16(14(21)9-23-15)17(22)19-7-11-1-2-11/h3-6,10-11,15H,1-2,7-9H2,(H,19,22).
What are the key properties of 6-(4-chlorophenyl)-N-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
6-(4-chlorophenyl)-N-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is sourced from PubChem (CID 122172511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).