5-[(6-hydroxy-1,4-oxazepan-6-yl)methyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

C14H22N4O4 — CID 70738623

IUPAC5-[(6-hydroxy-1,4-oxazepan-6-yl)methyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCNC(=O)c1noc2c1CN(CC1(O)CNCCOC1)CC2
InChIInChI=1S/C14H22N4O4/c1-15-13(19)12-10-6-18(4-2-11(10)22-17-12)8-14(20)7-16-3-5-21-9-14/h16,20H,2-9H2,1H3,(H,15,19)
InChIKeyOJTJBTFTOICXKM-UHFFFAOYSA-N
MW310.35 g/mol
LogP-1.26
Rot. Bonds3

About 5-[(6-hydroxy-1,4-oxazepan-6-yl)methyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

5-[(6-hydroxy-1,4-oxazepan-6-yl)methyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 70738623) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-[(6-hydroxy-1,4-oxazepan-6-yl)methyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(6-hydroxy-1,4-oxazepan-6-yl)methyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
PubChem CID70738623
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Name5-[(6-hydroxy-1,4-oxazepan-6-yl)methyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCNC(=O)c1noc2c1CN(CC1(O)CNCCOC1)CC2
InChIInChI=1S/C14H22N4O4/c1-15-13(19)12-10-6-18(4-2-11(10)22-17-12)8-14(20)7-16-3-5-21-9-14/h16,20H,2-9H2,1H3,(H,15,19)
InChIKeyOJTJBTFTOICXKM-UHFFFAOYSA-N
XLogP-1.26
TPSA99.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(dimethylamino)ethyl]-5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 97404558
3-N-[2-(dimethylamino)ethyl]-5-N,5-N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide
CID 97515405
3-N-[2-(dimethylamino)ethyl]-5-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide
CID 97515407
N-[2-(dimethylamino)ethyl]-5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118742892
tert-butyl 3-(3,3,3-trifluoropropylcarbamoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylate
CID 155154954
tert-butyl 3-[[1-(difluoromethoxymethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylate
CID 155255214
tert-butyl 3-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylate
CID 162689848
N-[1-(difluoromethoxymethyl)cyclopropyl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 155255211
N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydrobenzo[2,1-d]isoxazol-3-ylcarboxami de
CID 17254532
N-(2-methoxyethyl)-5-methyl-4-[(morpholin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 46341206
N,N-dimethyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-sulfonamide
CID 11951527
3-ethyl-5-[3-(2-methoxyethylcarbamoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-methyl-5-oxopentanoic acid
CID 11952242

Frequently Asked Questions

What is the IUPAC name of 5-[(6-hydroxy-1,4-oxazepan-6-yl)methyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of 5-[(6-hydroxy-1,4-oxazepan-6-yl)methyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (CID 70738623) is 5-[(6-hydroxy-1,4-oxazepan-6-yl)methyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(6-hydroxy-1,4-oxazepan-6-yl)methyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[(6-hydroxy-1,4-oxazepan-6-yl)methyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is CNC(=O)c1noc2c1CN(CC1(O)CNCCOC1)CC2.
What is the InChIKey of 5-[(6-hydroxy-1,4-oxazepan-6-yl)methyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is OJTJBTFTOICXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-15-13(19)12-10-6-18(4-2-11(10)22-17-12)8-14(20)7-16-3-5-21-9-14/h16,20H,2-9H2,1H3,(H,15,19).
What are the key properties of 5-[(6-hydroxy-1,4-oxazepan-6-yl)methyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
5-[(6-hydroxy-1,4-oxazepan-6-yl)methyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 310.35 g/mol, XLogP of -1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-hydroxy-1,4-oxazepan-6-yl)methyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 70738623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).