N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(propan-2-ylamino)propanamide

C13H23N3O2 — CID 79236273

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(propan-2-ylamino)propanamide
SMILESCc1noc(C)c1C(C)NC(=O)CCNC(C)C
InChIInChI=1S/C13H23N3O2/c1-8(2)14-7-6-12(17)15-9(3)13-10(4)16-18-11(13)5/h8-9,14H,6-7H2,1-5H3,(H,15,17)
InChIKeyKVVQEDWEUPROPR-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.86
Rot. Bonds6

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(propan-2-ylamino)propanamide

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(propan-2-ylamino)propanamide (PubChem CID 79236273) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(propan-2-ylamino)propanamide
PubChem CID79236273
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(propan-2-ylamino)propanamide
SMILESCc1noc(C)c1C(C)NC(=O)CCNC(C)C
InChIInChI=1S/C13H23N3O2/c1-8(2)14-7-6-12(17)15-9(3)13-10(4)16-18-11(13)5/h8-9,14H,6-7H2,1-5H3,(H,15,17)
InChIKeyKVVQEDWEUPROPR-UHFFFAOYSA-N
XLogP1.86
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypentanamide
CID 79237770
3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propanamide
CID 79237007
7-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]heptanamide
CID 79235967
2-(1-aminocyclopentyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
CID 79236390
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78961689
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-difluoroacetamide
CID 103515802
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid
CID 79242440
2-(4-cyanophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
CID 78961198
N-[1-(2,6-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 54861876
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-dimethylacetamide
CID 79242240
1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 99856758

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(propan-2-ylamino)propanamide (CID 79236273) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(propan-2-ylamino)propanamide is Cc1noc(C)c1C(C)NC(=O)CCNC(C)C.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is KVVQEDWEUPROPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-8(2)14-7-6-12(17)15-9(3)13-10(4)16-18-11(13)5/h8-9,14H,6-7H2,1-5H3,(H,15,17).
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(propan-2-ylamino)propanamide?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 253.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 79236273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).