3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]propanamide

C19H25N3O4 — CID 91787086

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]propanamide
SMILESCc1ccc(O[C@H]2CCOC[C@H]2NC(=O)CCc2c(C)noc2C)cn1
InChIInChI=1S/C19H25N3O4/c1-12-4-5-15(10-20-12)25-18-8-9-24-11-17(18)21-19(23)7-6-16-13(2)22-26-14(16)3/h4-5,10,17-18H,6-9,11H2,1-3H3,(H,21,23)/t17-,18+/m1/s1
InChIKeySNVCUVPLOITCKH-MSOLQXFVSA-N
MW359.43 g/mol
LogP2.28
Rot. Bonds6

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]propanamide (PubChem CID 91787086) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]propanamide
PubChem CID91787086
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]propanamide
SMILESCc1ccc(O[C@H]2CCOC[C@H]2NC(=O)CCc2c(C)noc2C)cn1
InChIInChI=1S/C19H25N3O4/c1-12-4-5-15(10-20-12)25-18-8-9-24-11-17(18)21-19(23)7-6-16-13(2)22-26-14(16)3/h4-5,10,17-18H,6-9,11H2,1-3H3,(H,21,23)/t17-,18+/m1/s1
InChIKeySNVCUVPLOITCKH-MSOLQXFVSA-N
XLogP2.28
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]propanamide (CID 91787086) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]propanamide is Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)CCc2c(C)noc2C)cn1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]propanamide?
The InChIKey is SNVCUVPLOITCKH-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-12-4-5-15(10-20-12)25-18-8-9-24-11-17(18)21-19(23)7-6-16-13(2)22-26-14(16)3/h4-5,10,17-18H,6-9,11H2,1-3H3,(H,21,23)/t17-,18+/m1/s1.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]propanamide has a molecular weight of 359.43 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]propanamide is sourced from PubChem (CID 91787086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).