N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)oxolane-3-carboxamide

C14H23N3O3 — CID 106371647

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C14H23N3O3/c1-4-5-15-12-8-19-7-11(12)14(18)16-6-13-17-9(2)10(3)20-13/h11-12,15H,4-8H2,1-3H3,(H,16,18)
InChIKeyDANVTXWNJGXNCT-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.92
Rot. Bonds6

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)oxolane-3-carboxamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)oxolane-3-carboxamide (PubChem CID 106371647) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)oxolane-3-carboxamide
PubChem CID106371647
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C14H23N3O3/c1-4-5-15-12-8-19-7-11(12)14(18)16-6-13-17-9(2)10(3)20-13/h11-12,15H,4-8H2,1-3H3,(H,16,18)
InChIKeyDANVTXWNJGXNCT-UHFFFAOYSA-N
XLogP0.92
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 106371630
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 66257106
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropanecarboxamide
CID 103623190
N-[(2-methylcyclopentyl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 107418568
N-(2-cyclopropylethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256756
4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
CID 66257134
N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110481
N-[(2-methoxyphenyl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 66256873
N-(2,2-dimethoxyethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255397
N-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide
CID 114154209
N-(oxan-3-ylmethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256717
N-propan-2-yl-4-(propylamino)oxolane-3-carboxamide
CID 66254772

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)oxolane-3-carboxamide (CID 106371647) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)NCc1nc(C)c(C)o1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is DANVTXWNJGXNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-5-15-12-8-19-7-11(12)14(18)16-6-13-17-9(2)10(3)20-13/h11-12,15H,4-8H2,1-3H3,(H,16,18).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)oxolane-3-carboxamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 106371647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).