[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3-methylphenyl)methanone

C19H22N2O3 — CID 97405898

IUPAC[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCc3onc(COCC4CC4)c3C2)c1
InChIInChI=1S/C19H22N2O3/c1-13-3-2-4-15(9-13)19(22)21-8-7-18-16(10-21)17(20-24-18)12-23-11-14-5-6-14/h2-4,9,14H,5-8,10-12H2,1H3
InChIKeyCHAHEQXBTRSHAF-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.11
Rot. Bonds5

About [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3-methylphenyl)methanone

[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3-methylphenyl)methanone (PubChem CID 97405898) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3-methylphenyl)methanone
PubChem CID97405898
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCc3onc(COCC4CC4)c3C2)c1
InChIInChI=1S/C19H22N2O3/c1-13-3-2-4-15(9-13)19(22)21-8-7-18-16(10-21)17(20-24-18)12-23-11-14-5-6-14/h2-4,9,14H,5-8,10-12H2,1H3
InChIKeyCHAHEQXBTRSHAF-UHFFFAOYSA-N
XLogP3.11
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methyl-2-pyridinyl)methanone
CID 97405893
[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 97405900
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 121197545
[3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone
CID 131648091
(6-methyl-3-pyridinyl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 155874114
[(2S)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone
CID 97477256
3-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]benzonitrile
CID 97463815
[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 91918423
[4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride
CID 119545466
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
cyclopropyl-[3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 97413637
N-(cyclopropylmethyl)-5-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155871127

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3-methylphenyl)methanone?
The IUPAC name of [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3-methylphenyl)methanone (CID 97405898) is [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCc3onc(COCC4CC4)c3C2)c1.
What is the InChIKey of [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3-methylphenyl)methanone?
The InChIKey is CHAHEQXBTRSHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-3-2-4-15(9-13)19(22)21-8-7-18-16(10-21)17(20-24-18)12-23-11-14-5-6-14/h2-4,9,14H,5-8,10-12H2,1H3.
What are the key properties of [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3-methylphenyl)methanone?
[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3-methylphenyl)methanone has a molecular weight of 326.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 97405898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).