(1S,3R,4R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-4-[(6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide

C19H27N5O3 — CID 157017918

IUPAC(1S,3R,4R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-4-[(6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESCO[C@@H]1C[C@@H](C(=O)NCc2c(C)noc2C)CC[C@H]1Nc1cc(C)ncn1
InChIInChI=1S/C19H27N5O3/c1-11-7-18(22-10-21-11)23-16-6-5-14(8-17(16)26-4)19(25)20-9-15-12(2)24-27-13(15)3/h7,10,14,16-17H,5-6,8-9H2,1-4H3,(H,20,25)(H,21,22,23)/t14-,16+,17+/m0/s1
InChIKeyQUJUZWJASKYRCE-USXIJHARSA-N
MW373.46 g/mol
LogP2.30
Rot. Bonds6

About (1S,3R,4R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-4-[(6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide

(1S,3R,4R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-4-[(6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide (PubChem CID 157017918) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is (1S,3R,4R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-4-[(6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3R,4R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-4-[(6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide
PubChem CID157017918
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name(1S,3R,4R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-4-[(6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESCO[C@@H]1C[C@@H](C(=O)NCc2c(C)noc2C)CC[C@H]1Nc1cc(C)ncn1
InChIInChI=1S/C19H27N5O3/c1-11-7-18(22-10-21-11)23-16-6-5-14(8-17(16)26-4)19(25)20-9-15-12(2)24-27-13(15)3/h7,10,14,16-17H,5-6,8-9H2,1-4H3,(H,20,25)(H,21,22,23)/t14-,16+,17+/m0/s1
InChIKeyQUJUZWJASKYRCE-USXIJHARSA-N
XLogP2.30
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1S,3R,4R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-4-[(6-methylpyrimidin-4-yl)amino]cyclohexane-1-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

cis-(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092556
3-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 79236689
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide
CID 112528606
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 47864758
N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115620732
(1S,3R,4R)-4-(benzylcarbamoylamino)-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 162626449
(1S,3R,4R)-4-(dimethylsulfamoylamino)-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 162630309
trans-(1S,2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 97314365
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 95146386
1-(5-chloro-2-methoxybenzoyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide
CID 47865084
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579
N-[1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112528634

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-4-[(6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of (1S,3R,4R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-4-[(6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide (CID 157017918) is (1S,3R,4R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-4-[(6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3R,4R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-4-[(6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for (1S,3R,4R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-4-[(6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide is CO[C@@H]1C[C@@H](C(=O)NCc2c(C)noc2C)CC[C@H]1Nc1cc(C)ncn1.
What is the InChIKey of (1S,3R,4R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-4-[(6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is QUJUZWJASKYRCE-USXIJHARSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-11-7-18(22-10-21-11)23-16-6-5-14(8-17(16)26-4)19(25)20-9-15-12(2)24-27-13(15)3/h7,10,14,16-17H,5-6,8-9H2,1-4H3,(H,20,25)(H,21,22,23)/t14-,16+,17+/m0/s1.
What are the key properties of (1S,3R,4R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-4-[(6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
(1S,3R,4R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-4-[(6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-4-[(6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 157017918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).