2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide

C13H21N3O2 — CID 64822535

IUPAC2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCc1cc(CN(C)C(=O)C2CCCCC2N)no1
InChIInChI=1S/C13H21N3O2/c1-9-7-10(15-18-9)8-16(2)13(17)11-5-3-4-6-12(11)14/h7,11-12H,3-6,8,14H2,1-2H3
InChIKeyQGDPNAHBYPDQPB-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.46
Rot. Bonds3

About 2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide

2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 64822535) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide
PubChem CID64822535
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCc1cc(CN(C)C(=O)C2CCCCC2N)no1
InChIInChI=1S/C13H21N3O2/c1-9-7-10(15-18-9)8-16(2)13(17)11-5-3-4-6-12(11)14/h7,11-12H,3-6,8,14H2,1-2H3
InChIKeyQGDPNAHBYPDQPB-UHFFFAOYSA-N
XLogP1.46
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119729303
cis-(1S,2R)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93320943
3-cyclopentyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 51077919
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-2-carboxamide
CID 64561642
N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 63716443
(2R,5S)-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944535
2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119958218
cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 94815781
1-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclobutane-1-carboxamide
CID 81178859
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890726
2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588863
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588860

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide (CID 64822535) is 2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide is Cc1cc(CN(C)C(=O)C2CCCCC2N)no1.
What is the InChIKey of 2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is QGDPNAHBYPDQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-7-10(15-18-9)8-16(2)13(17)11-5-3-4-6-12(11)14/h7,11-12H,3-6,8,14H2,1-2H3.
What are the key properties of 2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide?
2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64822535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).