(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone

C14H15N5O2 — CID 126851226

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)on1)N1CC(Nc2ccncn2)C1
InChIInChI=1S/C14H15N5O2/c20-14(11-5-12(21-18-11)9-1-2-9)19-6-10(7-19)17-13-3-4-15-8-16-13/h3-5,8-10H,1-2,6-7H2,(H,15,16,17)
InChIKeyGITVNIACXJOLOB-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.28
Rot. Bonds4

About (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone (PubChem CID 126851226) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone
PubChem CID126851226
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)on1)N1CC(Nc2ccncn2)C1
InChIInChI=1S/C14H15N5O2/c20-14(11-5-12(21-18-11)9-1-2-9)19-6-10(7-19)17-13-3-4-15-8-16-13/h3-5,8-10H,1-2,6-7H2,(H,15,16,17)
InChIKeyGITVNIACXJOLOB-UHFFFAOYSA-N
XLogP1.28
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63104546
(4-methylsulfanylphenyl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone
CID 131703845
(5-cyclopropyl-1,2-oxazol-3-yl)-[(3R)-3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124862214
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 119043459
5-cyclopropyl-N-[(3R,4S)-4-methyl-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386259
5-cyclopropyl-N-[(3S,4S)-4-methyl-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395404
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342906
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 90509069
3-phenyl-1-[3-(pyrimidin-4-ylamino)azetidin-1-yl]propan-1-one
CID 166315716
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334382
cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887079
(5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 121184581

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone (CID 126851226) is (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone is O=C(c1cc(C2CC2)on1)N1CC(Nc2ccncn2)C1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone?
The InChIKey is GITVNIACXJOLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c20-14(11-5-12(21-18-11)9-1-2-9)19-6-10(7-19)17-13-3-4-15-8-16-13/h3-5,8-10H,1-2,6-7H2,(H,15,16,17).
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone has a molecular weight of 285.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone is sourced from PubChem (CID 126851226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).