N-heptan-4-yl-2-methylcyclohepta[d][1,3]oxazole-7-carboxamide

C17H22N2O2 — CID 176534952

IUPACN-heptan-4-yl-2-methylcyclohepta[d][1,3]oxazole-7-carboxamide
SMILESCCCC(CCC)NC(=O)C1=Cc2oc(C)nc2C=C=C1
InChIInChI=1S/C17H22N2O2/c1-4-7-14(8-5-2)19-17(20)13-9-6-10-15-16(11-13)21-12(3)18-15/h9-11,14H,4-5,7-8H2,1-3H3,(H,19,20)
InChIKeyRIENLFRKMABGKQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.63
Rot. Bonds6

About N-heptan-4-yl-2-methylcyclohepta[d][1,3]oxazole-7-carboxamide

N-heptan-4-yl-2-methylcyclohepta[d][1,3]oxazole-7-carboxamide (PubChem CID 176534952) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-heptan-4-yl-2-methylcyclohepta[d][1,3]oxazole-7-carboxamide.

Molecular Properties

Compound NameN-heptan-4-yl-2-methylcyclohepta[d][1,3]oxazole-7-carboxamide
PubChem CID176534952
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-heptan-4-yl-2-methylcyclohepta[d][1,3]oxazole-7-carboxamide
SMILESCCCC(CCC)NC(=O)C1=Cc2oc(C)nc2C=C=C1
InChIInChI=1S/C17H22N2O2/c1-4-7-14(8-5-2)19-17(20)13-9-6-10-15-16(11-13)21-12(3)18-15/h9-11,14H,4-5,7-8H2,1-3H3,(H,19,20)
InChIKeyRIENLFRKMABGKQ-UHFFFAOYSA-N
XLogP3.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-6H-cyclohepta[d][1,3]oxazole
CID 123521613
2-cyclohepta-1,3,6-trien-1-yl-5-ethenyl-4-[(E)-2-methylhex-1-enyl]-1,3-oxazole
CID 129171323
(E)-N,N-dimethyl-3-[4-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]but-2-en-1-amine
CID 138750758
N-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide;ethane
CID 142558237
2-Tert-butyl-6-methylcyclohepta[d][1,3]oxazol-6-amine
CID 145076273
2-[(3E,5Z)-7-methoxy-2,7-dimethyl-2H-azocin-4-yl]-6-methyl-6H-cyclohepta[d][1,3]oxazole
CID 154662572
2-Methyl-4,5-dihydro-[1,3]oxazolo[4,5-c]azepin-6-one
CID 171509122
2-(chloromethyl)-N-heptan-4-ylcyclohepta[d][1,3]oxazole-7-carboxamide
CID 176534953
5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 106370683
(E)-2-cyano-3-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propylprop-2-enamide
CID 132314166
2-cyano-3-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propylprop-2-enamide
CID 136555988
N-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide
CID 142558238

Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-2-methylcyclohepta[d][1,3]oxazole-7-carboxamide?
The IUPAC name of N-heptan-4-yl-2-methylcyclohepta[d][1,3]oxazole-7-carboxamide (CID 176534952) is N-heptan-4-yl-2-methylcyclohepta[d][1,3]oxazole-7-carboxamide.
What is the SMILES notation for N-heptan-4-yl-2-methylcyclohepta[d][1,3]oxazole-7-carboxamide?
The canonical SMILES for N-heptan-4-yl-2-methylcyclohepta[d][1,3]oxazole-7-carboxamide is CCCC(CCC)NC(=O)C1=Cc2oc(C)nc2C=C=C1.
What is the InChIKey of N-heptan-4-yl-2-methylcyclohepta[d][1,3]oxazole-7-carboxamide?
The InChIKey is RIENLFRKMABGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-7-14(8-5-2)19-17(20)13-9-6-10-15-16(11-13)21-12(3)18-15/h9-11,14H,4-5,7-8H2,1-3H3,(H,19,20).
What are the key properties of N-heptan-4-yl-2-methylcyclohepta[d][1,3]oxazole-7-carboxamide?
N-heptan-4-yl-2-methylcyclohepta[d][1,3]oxazole-7-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-2-methylcyclohepta[d][1,3]oxazole-7-carboxamide is sourced from PubChem (CID 176534952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).